1-benzoyl-4-hydroxypiperidine-4-carbonitrile

C13H14N2O2 — CID 13284424

IUPAC1-benzoyl-4-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(O)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-10-13(17)6-8-15(9-7-13)12(16)11-4-2-1-3-5-11/h1-5,17H,6-9H2
InChIKeyBVAUOJSJRZVPCL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.18
Rot. Bonds1

About 1-benzoyl-4-hydroxypiperidine-4-carbonitrile

1-benzoyl-4-hydroxypiperidine-4-carbonitrile (PubChem CID 13284424) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-benzoyl-4-hydroxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-4-hydroxypiperidine-4-carbonitrile
PubChem CID13284424
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-benzoyl-4-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(O)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-10-13(17)6-8-15(9-7-13)12(16)11-4-2-1-3-5-11/h1-5,17H,6-9H2
InChIKeyBVAUOJSJRZVPCL-UHFFFAOYSA-N
XLogP1.18
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze 1-benzoyl-4-hydroxypiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
CID 22898535
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
2-(1-benzoylpiperidin-4-ylidene)acetonitrile
CID 117063993
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
CID 70797802
1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
CID 138702406
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
(5R)-2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.4]non-6-ene-7-carbonitrile
CID 175904166

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-hydroxypiperidine-4-carbonitrile?
The IUPAC name of 1-benzoyl-4-hydroxypiperidine-4-carbonitrile (CID 13284424) is 1-benzoyl-4-hydroxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-benzoyl-4-hydroxypiperidine-4-carbonitrile?
The canonical SMILES for 1-benzoyl-4-hydroxypiperidine-4-carbonitrile is N#CC1(O)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-hydroxypiperidine-4-carbonitrile?
The InChIKey is BVAUOJSJRZVPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-13(17)6-8-15(9-7-13)12(16)11-4-2-1-3-5-11/h1-5,17H,6-9H2.
What are the key properties of 1-benzoyl-4-hydroxypiperidine-4-carbonitrile?
1-benzoyl-4-hydroxypiperidine-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-hydroxypiperidine-4-carbonitrile is sourced from PubChem (CID 13284424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).