4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine

C14H20ClN — CID 84798988

IUPAC4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
SMILESCc1ccc(Cl)c(C)c1CC1CCNCC1
InChIInChI=1S/C14H20ClN/c1-10-3-4-14(15)11(2)13(10)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3
InChIKeyBICORKAATDDSCM-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.50
Rot. Bonds2

About 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine

4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine (PubChem CID 84798988) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
PubChem CID84798988
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
SMILESCc1ccc(Cl)c(C)c1CC1CCNCC1
InChIInChI=1S/C14H20ClN/c1-10-3-4-14(15)11(2)13(10)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3
InChIKeyBICORKAATDDSCM-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(3-chloro-2,6-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

4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985
5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 84639371

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine (CID 84798988) is 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine is Cc1ccc(Cl)c(C)c1CC1CCNCC1.
What is the InChIKey of 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine?
The InChIKey is BICORKAATDDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-3-4-14(15)11(2)13(10)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3.
What are the key properties of 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine?
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 84798988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).