1-Benzyl-4-(pyridin-2-yl)piperidine-4-carbonitrile

HCID 22725232

Notes Reactions

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Basic information

Standard SMILES: N#CC1(c2ccccn2)CCN(Cc2ccccc2)CC1
InChIKey: JEKXTPOOOWSMGG-UHFFFAOYSA-N
Molecular formula: C18H19N3
Average molar mass: 277.4 g/mol

Names & identifiers

Preferred name: 1-Benzyl-4-(pyridin-2-yl)piperidine-4-carbonitrile
IUPAC: 1-benzyl-4-pyridin-2-ylpiperidine-4-carbonitrile

Names & synonyms

1-Benzyl-4-(pyridin-2-yl)piperidine-4-carbonitrile179482-21-4SCHEMBL6198717JEKXTPOOOWSMGG-UHFFFAOYSA-N1-Benzyl-4-cyano-4-(2-pyridyl)piperidine1-benzyl-4-cyano-4-(pyridin-2-yl)-piperidine

Database identifiers

PubChem CID: 22725232

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 39.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 369

Related reactions

6 records

New reaction record

HRID 94392As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 177432As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 278915As productuspto-grants-2002_03

HRID 324324As productuspto-grants-2001_04

HRID 400067As productuspto-grants-1998_10

HRID 1860414As productuspto-grants-2003_03

Compound notes

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