2-[(3-chloro-5-methylphenyl)methyl]piperidine

C13H18ClN — CID 84688929

IUPAC2-[(3-chloro-5-methylphenyl)methyl]piperidine
SMILESCc1cc(Cl)cc(CC2CCCCN2)c1
InChIInChI=1S/C13H18ClN/c1-10-6-11(8-12(14)7-10)9-13-4-2-3-5-15-13/h6-8,13,15H,2-5,9H2,1H3
InChIKeyNLCOXNHZYKSACT-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.33
Rot. Bonds2

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

2-[(3-chloro-5-methylphenyl)methyl]piperidine (PubChem CID 84688929) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-[(3-chloro-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-5-methylphenyl)methyl]piperidine
PubChem CID84688929
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-[(3-chloro-5-methylphenyl)methyl]piperidine
SMILESCc1cc(Cl)cc(CC2CCCCN2)c1
InChIInChI=1S/C13H18ClN/c1-10-6-11(8-12(14)7-10)9-13-4-2-3-5-15-13/h6-8,13,15H,2-5,9H2,1H3
InChIKeyNLCOXNHZYKSACT-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5094056
(2R)-2-[(4-methylphenyl)methyl]piperidine
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2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
CID 115008960
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-(3-chloro-5-methylphenyl)piperidine
CID 84781097
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-5-methylphenyl)methyl]piperidine (CID 84688929) is 2-[(3-chloro-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-5-methylphenyl)methyl]piperidine is Cc1cc(Cl)cc(CC2CCCCN2)c1.
What is the InChIKey of 2-[(3-chloro-5-methylphenyl)methyl]piperidine?
The InChIKey is NLCOXNHZYKSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-6-11(8-12(14)7-10)9-13-4-2-3-5-15-13/h6-8,13,15H,2-5,9H2,1H3.
What are the key properties of 2-[(3-chloro-5-methylphenyl)methyl]piperidine?
2-[(3-chloro-5-methylphenyl)methyl]piperidine has a molecular weight of 223.75 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84688929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).