2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile

C32H30N2 — CID 164686950

IUPAC2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)c(C#N)c1N1CCCCC1
InChIInChI=1S/C32H30N2/c1-24-30(26-16-8-3-9-17-26)31(27-18-10-4-11-19-27)28(22-25-14-6-2-7-15-25)29(23-33)32(24)34-20-12-5-13-21-34/h2-4,6-11,14-19H,5,12-13,20-22H2,1H3
InChIKeyUSROBAYAOPBZDW-UHFFFAOYSA-N
MW442.61 g/mol
LogP7.78
Rot. Bonds5

About 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile

2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile (PubChem CID 164686950) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile
PubChem CID164686950
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)c(C#N)c1N1CCCCC1
InChIInChI=1S/C32H30N2/c1-24-30(26-16-8-3-9-17-26)31(27-18-10-4-11-19-27)28(22-25-14-6-2-7-15-25)29(23-33)32(24)34-20-12-5-13-21-34/h2-4,6-11,14-19H,5,12-13,20-22H2,1H3
InChIKeyUSROBAYAOPBZDW-UHFFFAOYSA-N
XLogP7.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-methyl-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 138966498
4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 14144309
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
2-benzyl-1,4-dimethyl-3-phenylnaphthalene
CID 102201254
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile
CID 10149622
4'-(3-chlorophenyl)-3'-methyl-2'-piperidin-1-ylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-1'-carbonitrile
CID 164684830
1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
CID 58838838
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
CID 50887179
1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 71668583
5-(azepan-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 18822883
2-benzyl-1-(4-fluoropiperidin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162318362

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile?
The IUPAC name of 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile (CID 164686950) is 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile?
The canonical SMILES for 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile is Cc1c(-c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)c(C#N)c1N1CCCCC1.
What is the InChIKey of 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile?
The InChIKey is USROBAYAOPBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-24-30(26-16-8-3-9-17-26)31(27-18-10-4-11-19-27)28(22-25-14-6-2-7-15-25)29(23-33)32(24)34-20-12-5-13-21-34/h2-4,6-11,14-19H,5,12-13,20-22H2,1H3.
What are the key properties of 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile?
2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile has a molecular weight of 442.61 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 164686950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).