1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile

C13H15ClN2 — CID 117003345

IUPAC1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)CC2)cc1Cl
InChIInChI=1S/C13H15ClN2/c1-10-2-3-12(8-13(10)14)16-6-4-11(9-15)5-7-16/h2-3,8,11H,4-7H2,1H3
InChIKeyMDNRIAGJOMNFCB-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.39
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile

1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile (PubChem CID 117003345) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile
PubChem CID117003345
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)CC2)cc1Cl
InChIInChI=1S/C13H15ClN2/c1-10-2-3-12(8-13(10)14)16-6-4-11(9-15)5-7-16/h2-3,8,11H,4-7H2,1H3
InChIKeyMDNRIAGJOMNFCB-UHFFFAOYSA-N
XLogP3.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020289
2-[[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004666
methyl 1-(3-chloro-4-methylphenyl)piperidine-4-carboxylate
CID 117028048
1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 67357061
1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile
CID 135324308
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
CID 46988681
1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile
CID 45275464
1-(3-chloro-4-methylphenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
CID 117023194
1-(4-bromoquinolin-6-yl)piperidine-4-carbonitrile
CID 137490268
4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68811439
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile (CID 117003345) is 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile is Cc1ccc(N2CCC(C#N)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile?
The InChIKey is MDNRIAGJOMNFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10-2-3-12(8-13(10)14)16-6-4-11(9-15)5-7-16/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile?
1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117003345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).