1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile

C20H22N2 — CID 74243723

IUPAC1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
SMILESCc1ccccc1-c1ccc(CN2CCCC(C#N)C2)cc1
InChIInChI=1S/C20H22N2/c1-16-5-2-3-7-20(16)19-10-8-17(9-11-19)14-22-12-4-6-18(13-21)15-22/h2-3,5,7-11,18H,4,6,12,14-15H2,1H3
InChIKeySHTLELHATDMBQI-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.40
Rot. Bonds3

About 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile

1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile (PubChem CID 74243723) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
PubChem CID74243723
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
SMILESCc1ccccc1-c1ccc(CN2CCCC(C#N)C2)cc1
InChIInChI=1S/C20H22N2/c1-16-5-2-3-7-20(16)19-10-8-17(9-11-19)14-22-12-4-6-18(13-21)15-22/h2-3,5,7-11,18H,4,6,12,14-15H2,1H3
InChIKeySHTLELHATDMBQI-UHFFFAOYSA-N
XLogP4.40
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142
1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile
CID 67996668
[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine
CID 16774933
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
1-[(4-chlorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83980776
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]piperidine-3-carboxylate
CID 16618079
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83986149
1-benzylazetidine-3-carbonitrile
CID 19814762

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile (CID 74243723) is 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile is Cc1ccccc1-c1ccc(CN2CCCC(C#N)C2)cc1.
What is the InChIKey of 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile?
The InChIKey is SHTLELHATDMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-16-5-2-3-7-20(16)19-10-8-17(9-11-19)14-22-12-4-6-18(13-21)15-22/h2-3,5,7-11,18H,4,6,12,14-15H2,1H3.
What are the key properties of 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile?
1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile has a molecular weight of 290.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 74243723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).