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

C23H21N3 — CID 2839510

IUPAC4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C23H21N3/c24-17-21-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)25-23(21)26-14-8-3-9-15-26/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyCZKQZXXJRAAXKY-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.28
Rot. Bonds3

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

4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 2839510) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID2839510
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C23H21N3/c24-17-21-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)25-23(21)26-14-8-3-9-15-26/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyCZKQZXXJRAAXKY-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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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile (CID 2839510) is 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is CZKQZXXJRAAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-17-21-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)25-23(21)26-14-8-3-9-15-26/h1-2,4-7,10-13,16H,3,8-9,14-15H2.
What are the key properties of 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile?
4,6-diphenyl-2-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 4,6-diphenyl-2-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2839510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).