3-[(3-chlorophenyl)methyl]-4-methoxypiperidine

C13H18ClNO — CID 84736905

IUPAC3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCNCC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-13-5-6-15-9-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,13,15H,5-7,9H2,1H3
InChIKeyNUVKRJWJQNMAHL-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine

3-[(3-chlorophenyl)methyl]-4-methoxypiperidine (PubChem CID 84736905) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
PubChem CID84736905
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCNCC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-13-5-6-15-9-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,13,15H,5-7,9H2,1H3
InChIKeyNUVKRJWJQNMAHL-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine
CID 124677110
4-methoxy-3-[(2-methylphenyl)methyl]piperidine
CID 84735198
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 127021374
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
3-(4-chlorophenyl)-4-methoxypiperidine
CID 117236496

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine (CID 84736905) is 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine is COC1CCNCC1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine?
The InChIKey is NUVKRJWJQNMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-5-6-15-9-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,13,15H,5-7,9H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine?
3-[(3-chlorophenyl)methyl]-4-methoxypiperidine has a molecular weight of 239.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 84736905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).