2-[(3-chloro-4-methoxyphenyl)methyl]piperidine

C13H18ClNO — CID 82084437

IUPAC2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-13-6-5-10(9-12(13)14)8-11-4-2-3-7-15-11/h5-6,9,11,15H,2-4,7-8H2,1H3
InChIKeyNZCMORUKTXZKJK-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine

2-[(3-chloro-4-methoxyphenyl)methyl]piperidine (PubChem CID 82084437) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
PubChem CID82084437
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-13-6-5-10(9-12(13)14)8-11-4-2-3-7-15-11/h5-6,9,11,15H,2-4,7-8H2,1H3
InChIKeyNZCMORUKTXZKJK-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine (CID 82084437) is 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine is COc1ccc(CC2CCCCN2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine?
The InChIKey is NZCMORUKTXZKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-6-5-10(9-12(13)14)8-11-4-2-3-7-15-11/h5-6,9,11,15H,2-4,7-8H2,1H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine?
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 82084437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).