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

C13H18FNO — CID 84725231

IUPAC4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
SMILESCOc1cccc(C2CNCCC2(C)F)c1
InChIInChI=1S/C13H18FNO/c1-13(14)6-7-15-9-12(13)10-4-3-5-11(8-10)16-2/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyPYENRUVDKPLXJM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.50
Rot. Bonds2

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

4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine (PubChem CID 84725231) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
PubChem CID84725231
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
SMILESCOc1cccc(C2CNCCC2(C)F)c1
InChIInChI=1S/C13H18FNO/c1-13(14)6-7-15-9-12(13)10-4-3-5-11(8-10)16-2/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyPYENRUVDKPLXJM-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117534
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824886
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine?
The IUPAC name of 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine (CID 84725231) is 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine.
What is the SMILES notation for 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine?
The canonical SMILES for 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine is COc1cccc(C2CNCCC2(C)F)c1.
What is the InChIKey of 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine?
The InChIKey is PYENRUVDKPLXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(14)6-7-15-9-12(13)10-4-3-5-11(8-10)16-2/h3-5,8,12,15H,6-7,9H2,1-2H3.
What are the key properties of 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine?
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine is sourced from PubChem (CID 84725231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).