4-HYDROXY-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBONITRILE
Also: 4-HYDROXY-1-PHENETHYLPIPERIDINE-4-CARBONITRILE, 4-PIPERIDINECARBONITRILE, 4-HYDROXY-1-(2-PHENYLETHYL)-, ISONIPECOTONITRILE, 4-HYDROXY-1-PHE…
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 2f386a4e-4d09-48dc-a4e6-b98e32dfb94d
- Version
- 5
- UNII
- BU9VSF1T3D
- Codes
- Uuid
- 77d8e165-b65e-4d0a-a0df-7cd68c268805
- Code
- 23804-59-3
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=23804-59-3
- Code system
- CAS
- References
- fd546399-4ab4-4c6f-8fc0-a5f84e1ac615, ec2cb4fe-3ef7-4b7e-8b50-2ef2042d1feb
- Uuid
- 3b0f4cf6-cccc-4dd6-9113-09ae71004139
- Code
- 245-891-9
- Type
- PRIMARY
- Url
- https://echa.europa.eu/substance-information/-/substanceinfo/100.041.705
- Code system
- ECHA (EC/EINECS)
- References
- fd546399-4ab4-4c6f-8fc0-a5f84e1ac615
- Uuid
- ebd1ba71-3f32-48ed-83ae-3bb37100789e
- Code
- 32100
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/32100
- Code system
- PUBCHEM
- References
- fd546399-4ab4-4c6f-8fc0-a5f84e1ac615
- Uuid
- c6b6d32f-6813-48d0-8853-632e0d839fdf
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- BU9VSF1T3D
- Type
- PRIMARY
- Code system
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- Uuid
- e5564802-5bc5-120d-2d2d-477e4de8fc83
- Code
- DTXSID30178504
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID30178504
- Code system
- EPA CompTox
- References
- dea4e2e0-313b-a3b1-79e4-ba20486d6e0c
- Names
- Uuid
- e103fae5-8aad-45e6-5893-4a40d889028b
- Name
- 4-HYDROXY-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBONITRILE
- StdName
- 4-HYDROXY-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBONITRILE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 61194f2b-e07f-655a-ba4d-2927e403fd60
- Uuid
- 989b1dc7-cce3-cae0-257b-6ff1bc4a138e
- Name
- 4-HYDROXY-1-PHENETHYLPIPERIDINE-4-CARBONITRILE
- StdName
- 4-HYDROXY-1-PHENETHYLPIPERIDINE-4-CARBONITRILE
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 61194f2b-e07f-655a-ba4d-2927e403fd60
- Uuid
- 7f5772f0-7a54-6b63-2c73-a4d6d0ab075b
- Name
- 4-PIPERIDINECARBONITRILE, 4-HYDROXY-1-(2-PHENYLETHYL)-
- StdName
- 4-PIPERIDINECARBONITRILE, 4-HYDROXY-1-(2-PHENYLETHYL)-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 61194f2b-e07f-655a-ba4d-2927e403fd60
- Uuid
- b430a980-563f-4892-861a-419313ee87fa
- Name
- ISONIPECOTONITRILE, 4-HYDROXY-1-PHENETHYL-
- StdName
- ISONIPECOTONITRILE, 4-HYDROXY-1-PHENETHYL-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- d7576ebb-96b6-4ecb-8e56-9396528fb2fd, 676387bb-be35-4cd5-8870-e4d2426e1d5d
- References
- Uuid
- 676387bb-be35-4cd5-8870-e4d2426e1d5d
- Citation
- CHEMID
- Doc type
- SRS
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- true
- Tags
- NOMEN
- Uuid
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- Citation
- EPA
- Doc type
- EPA
- Public domain
- true
- Tags
- NOMEN
- Uuid
- fd546399-4ab4-4c6f-8fc0-a5f84e1ac615
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493393980000
- Tags
- NOMEN
- Uuid
- dea4e2e0-313b-a3b1-79e4-ba20486d6e0c
- Citation
- WEBSITE
- Url
- https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=23804-59-3
- Doc type
- WEBSITE
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE
- Uuid
- 61194f2b-e07f-655a-ba4d-2927e403fd60
- Citation
- stn
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- ec2cb4fe-3ef7-4b7e-8b50-2ef2042d1feb
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Moieties
- Uuid
- 534b6070-2bd2-4eb3-9dd6-33797161998c
- ID
- 534b6070-2bd2-4eb3-9dd6-33797161998c
- Smiles
- c1ccc(cc1)CCN2CCC(CC2)(C#N)O
- Formula
- C14H18N2O
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 230.306
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132104202D 17 18 0 0 0 0 999 V2000 -0.9399 -2.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 -1.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 0.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 -0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -1.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 -1.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 14 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 16 17 3 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 2b430e5d-3d92-4a2b-8845-26730ede77a7
- Structure
- ID
- b0bd6943-49ab-4373-8cb9-6f2c074ab367
- Smiles
- c1ccc(cc1)CCN2CCC(CC2)(C#N)O
- Formula
- C14H18N2O
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 230.306
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132109102D 17 18 0 0 0 0 999 V2000 14.2017 -5.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4734 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9515 -5.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -5.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 -3.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 -3.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 -5.7411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2017 -3.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2017 -2.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 -2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6277 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6277 -3.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3434 -2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3345 -3.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0448 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0520 -3.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 3 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 7 9 1 0 0 0 0 16 17 1 0 0 0 0 M END
- References
- 676387bb-be35-4cd5-8870-e4d2426e1d5d