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

C13H18ClNO — CID 84800099

IUPAC4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(Cl)ccc1CC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-16-13-9-12(14)3-2-11(13)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3
InChIKeyVLGSZQYMKAARFU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.89
Rot. Bonds3

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

4-[(4-chloro-2-methoxyphenyl)methyl]piperidine (PubChem CID 84800099) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
PubChem CID84800099
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(Cl)ccc1CC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-16-13-9-12(14)3-2-11(13)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3
InChIKeyVLGSZQYMKAARFU-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine (CID 84800099) is 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine is COc1cc(Cl)ccc1CC1CCNCC1.
What is the InChIKey of 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine?
The InChIKey is VLGSZQYMKAARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-9-12(14)3-2-11(13)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3.
What are the key properties of 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine?
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84800099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).