5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine

C13H18FNO — CID 84725237

IUPAC5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
SMILESCOc1cccc(C2CCC(C)(F)CN2)c1
InChIInChI=1S/C13H18FNO/c1-13(14)7-6-12(15-9-13)10-4-3-5-11(8-10)16-2/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyQRAAEJZXPBWTCV-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds2

About 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine

5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine (PubChem CID 84725237) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
PubChem CID84725237
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
SMILESCOc1cccc(C2CCC(C)(F)CN2)c1
InChIInChI=1S/C13H18FNO/c1-13(14)7-6-12(15-9-13)10-4-3-5-11(8-10)16-2/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyQRAAEJZXPBWTCV-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-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
5-fluoro-5-methyl-2-(4-methylphenyl)piperidine
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(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
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4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine?
The IUPAC name of 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine (CID 84725237) is 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine.
What is the SMILES notation for 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine?
The canonical SMILES for 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine is COc1cccc(C2CCC(C)(F)CN2)c1.
What is the InChIKey of 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine?
The InChIKey is QRAAEJZXPBWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(14)7-6-12(15-9-13)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 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine?
5-fluoro-2-(3-methoxyphenyl)-5-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 5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine is sourced from PubChem (CID 84725237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).