2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile

C14H18ClN3 — CID 79720085

IUPAC2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
SMILESCN(CC1CCNCC1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H18ClN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3
InChIKeyXZGYMDCVMRCVCH-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile

2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile (PubChem CID 79720085) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
PubChem CID79720085
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
SMILESCN(CC1CCNCC1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H18ClN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3
InChIKeyXZGYMDCVMRCVCH-UHFFFAOYSA-N
XLogP2.65
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile 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

2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55161481
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-chlorobenzonitrile
CID 79652568
3-chloro-2-[cyclobutylmethyl(methyl)amino]benzonitrile
CID 133322090
2-chloro-6-piperidin-4-yloxybenzonitrile
CID 62497393
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 60678010
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile (CID 79720085) is 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile is CN(CC1CCNCC1)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile?
The InChIKey is XZGYMDCVMRCVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3.
What are the key properties of 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile?
2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile has a molecular weight of 263.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 79720085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).