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

C24H29N3 — CID 46988681

IUPAC1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
SMILESCc1ccccc1-c1cccc(N2CCC(N3CCC(C#N)CC3)CC2)c1
InChIInChI=1S/C24H29N3/c1-19-5-2-3-8-24(19)21-6-4-7-23(17-21)27-15-11-22(12-16-27)26-13-9-20(18-25)10-14-26/h2-8,17,20,22H,9-16H2,1H3
InChIKeyMTLBONKFCDQPHW-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.87
Rot. Bonds3

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

1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile (PubChem CID 46988681) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
PubChem CID46988681
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
SMILESCc1ccccc1-c1cccc(N2CCC(N3CCC(C#N)CC3)CC2)c1
InChIInChI=1S/C24H29N3/c1-19-5-2-3-8-24(19)21-6-4-7-23(17-21)27-15-11-22(12-16-27)26-13-9-20(18-25)10-14-26/h2-8,17,20,22H,9-16H2,1H3
InChIKeyMTLBONKFCDQPHW-UHFFFAOYSA-N
XLogP4.87
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile
CID 117003345
1-[1-(3-bromophenyl)pyrrolidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005994
1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
CID 45248000
1-[1-(3-methylphenyl)piperidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005823
1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 45213648
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 79018586
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
CID 154920531
2-[3-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-methylbenzimidazole
CID 59568380
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile (CID 46988681) is 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile is Cc1ccccc1-c1cccc(N2CCC(N3CCC(C#N)CC3)CC2)c1.
What is the InChIKey of 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile?
The InChIKey is MTLBONKFCDQPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-19-5-2-3-8-24(19)21-6-4-7-23(17-21)27-15-11-22(12-16-27)26-13-9-20(18-25)10-14-26/h2-8,17,20,22H,9-16H2,1H3.
What are the key properties of 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile?
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile has a molecular weight of 359.52 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 46988681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).