3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine

C13H18FNO — CID 84725233

IUPAC3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine
SMILESCOc1ccc(C2NCCCC2(C)F)cc1
InChIInChI=1S/C13H18FNO/c1-13(14)8-3-9-15-12(13)10-4-6-11(16-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyMVWIZDCEQWWBLI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds2

About 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine

3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine (PubChem CID 84725233) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine
PubChem CID84725233
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine
SMILESCOc1ccc(C2NCCCC2(C)F)cc1
InChIInChI=1S/C13H18FNO/c1-13(14)8-3-9-15-12(13)10-4-6-11(16-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyMVWIZDCEQWWBLI-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid
CID 164531370
4-(3,3-difluoropiperidin-2-yl)pyridine
CID 138111206
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-(4-methoxyphenyl)-1,4-diazocane
CID 2771778
1-[1-fluoro-6-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-4-methylbicyclo[2.2.2]octane
CID 19849387
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044476
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
2-[1-(4-methoxyphenyl)cyclopropyl]pyrrolidine
CID 83910096
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2R)-2-(4-methoxyphenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 97179322

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine?
The IUPAC name of 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine (CID 84725233) is 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine.
What is the SMILES notation for 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine?
The canonical SMILES for 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine is COc1ccc(C2NCCCC2(C)F)cc1.
What is the InChIKey of 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine?
The InChIKey is MVWIZDCEQWWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(14)8-3-9-15-12(13)10-4-6-11(16-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3.
What are the key properties of 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine?
3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine is sourced from PubChem (CID 84725233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).