4-[(5-chloro-2-methylphenyl)methyl]piperidine

C13H18ClN — CID 84688935

IUPAC4-[(5-chloro-2-methylphenyl)methyl]piperidine
SMILESCc1ccc(Cl)cc1CC1CCNCC1
InChIInChI=1S/C13H18ClN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3
InChIKeyQZDKWKWQNCCRPP-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.19
Rot. Bonds2

About 4-[(5-chloro-2-methylphenyl)methyl]piperidine

4-[(5-chloro-2-methylphenyl)methyl]piperidine (PubChem CID 84688935) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)methyl]piperidine
PubChem CID84688935
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-[(5-chloro-2-methylphenyl)methyl]piperidine
SMILESCc1ccc(Cl)cc1CC1CCNCC1
InChIInChI=1S/C13H18ClN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3
InChIKeyQZDKWKWQNCCRPP-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)methyl]piperidine (CID 84688935) is 4-[(5-chloro-2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)methyl]piperidine is Cc1ccc(Cl)cc1CC1CCNCC1.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)methyl]piperidine?
The InChIKey is QZDKWKWQNCCRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3.
What are the key properties of 4-[(5-chloro-2-methylphenyl)methyl]piperidine?
4-[(5-chloro-2-methylphenyl)methyl]piperidine has a molecular weight of 223.75 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84688935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).