2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile

C23H21N3 — CID 46839025

IUPAC2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3/c24-17-20-22(26-14-8-3-9-15-26)16-21(18-10-4-1-5-11-18)25-23(20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyZXANSLBVWCBHPP-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.28
Rot. Bonds3

About 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile

2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 46839025) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID46839025
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3/c24-17-20-22(26-14-8-3-9-15-26)16-21(18-10-4-1-5-11-18)25-23(20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyZXANSLBVWCBHPP-UHFFFAOYSA-N
XLogP5.28
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Diphenylpyridine
CID 72920
2-Phenyl-N-(2-(1-piperidinyl)ethyl)-4-quinolinamine
CID 2728458
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
Ropizine
CID 9568666
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
2-Benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 3845246
2-Phenyl-4-pyrrolidin-1-yl-quinoline
CID 3438772
Acridine, 1,2,3,4-tetrahydro-9-piperidino-
CID 22021
2,4,6-Triphenylpyridine
CID 136370
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
Acridine, 1,2,3,4-tetrahydro-9-pyrrolidinyl-
CID 14615961

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile (CID 46839025) is 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is ZXANSLBVWCBHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-17-20-22(26-14-8-3-9-15-26)16-21(18-10-4-1-5-11-18)25-23(20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16H,3,8-9,14-15H2.
What are the key properties of 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile?
2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 46839025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).