2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine

C14H20ClN — CID 117348318

IUPAC2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(Cl)c(CC2CCCCN2)c1
InChIInChI=1S/C14H20ClN/c1-10-7-11(2)14(15)12(8-10)9-13-5-3-4-6-16-13/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyHQCZAOPICKJVBB-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.64
Rot. Bonds2

About 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine

2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine (PubChem CID 117348318) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
PubChem CID117348318
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(Cl)c(CC2CCCCN2)c1
InChIInChI=1S/C14H20ClN/c1-10-7-11(2)14(15)12(8-10)9-13-5-3-4-6-16-13/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyHQCZAOPICKJVBB-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine 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-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine (CID 117348318) is 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine is Cc1cc(C)c(Cl)c(CC2CCCCN2)c1.
What is the InChIKey of 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine?
The InChIKey is HQCZAOPICKJVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-7-11(2)14(15)12(8-10)9-13-5-3-4-6-16-13/h7-8,13,16H,3-6,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine?
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117348318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).