4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine

C13H18FNO — CID 83809598

IUPAC4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(F)c1CC1CCNCC1
InChIInChI=1S/C13H18FNO/c1-16-13-4-2-3-12(14)11(13)9-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3
InChIKeyXFWKXQFEPGJQBK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds3

About 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine

4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine (PubChem CID 83809598) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
PubChem CID83809598
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(F)c1CC1CCNCC1
InChIInChI=1S/C13H18FNO/c1-16-13-4-2-3-12(14)11(13)9-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3
InChIKeyXFWKXQFEPGJQBK-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine
CID 17039512
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride
CID 17039511

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine (CID 83809598) is 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine is COc1cccc(F)c1CC1CCNCC1.
What is the InChIKey of 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine?
The InChIKey is XFWKXQFEPGJQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-4-2-3-12(14)11(13)9-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3.
What are the key properties of 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine?
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 83809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).