4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine

C14H20ClNO — CID 117387735

IUPAC4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)ccc(C)c1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-13(15)14(17-2)12(10)9-11-5-7-16-8-6-11/h3-4,11,16H,5-9H2,1-2H3
InChIKeyWVIBMSOUAFPMQP-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.20
Rot. Bonds3

About 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine

4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine (PubChem CID 117387735) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
PubChem CID117387735
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)ccc(C)c1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-13(15)14(17-2)12(10)9-11-5-7-16-8-6-11/h3-4,11,16H,5-9H2,1-2H3
InChIKeyWVIBMSOUAFPMQP-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine (CID 117387735) is 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine is COc1c(Cl)ccc(C)c1CC1CCNCC1.
What is the InChIKey of 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine?
The InChIKey is WVIBMSOUAFPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-3-4-13(15)14(17-2)12(10)9-11-5-7-16-8-6-11/h3-4,11,16H,5-9H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine?
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117387735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).