4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine

C13H18ClNO — CID 114502183

IUPAC4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
SMILESCOc1cc(C2CCNCC2C)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-8-15-6-5-11(9)10-3-4-12(14)13(7-10)16-2/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyKBEHJSWFOFOJMZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine

4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine (PubChem CID 114502183) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
PubChem CID114502183
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
SMILESCOc1cc(C2CCNCC2C)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-8-15-6-5-11(9)10-3-4-12(14)13(7-10)16-2/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyKBEHJSWFOFOJMZ-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]benzoic acid
CID 58617157
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 79697517
4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
CID 79320890
3-methyl-4-naphthalen-2-ylpiperidine
CID 66277961
4-(4-cyclopropylphenyl)-3-methylpiperidine
CID 79978066
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
CID 166767477
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
CID 79321380
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
CID 140532848
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine (CID 114502183) is 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine is COc1cc(C2CCNCC2C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine?
The InChIKey is KBEHJSWFOFOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-8-15-6-5-11(9)10-3-4-12(14)13(7-10)16-2/h3-4,7,9,11,15H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine?
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine has a molecular weight of 239.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine is sourced from PubChem (CID 114502183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).