4,4-difluoro-3-(3-methylphenyl)piperidine

C12H15F2N — CID 84723273

IUPAC4,4-difluoro-3-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CNCCC2(F)F)c1
InChIInChI=1S/C12H15F2N/c1-9-3-2-4-10(7-9)11-8-15-6-5-12(11,13)14/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyWFMCEGMERZIHPY-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.71
Rot. Bonds1

About 4,4-difluoro-3-(3-methylphenyl)piperidine

4,4-difluoro-3-(3-methylphenyl)piperidine (PubChem CID 84723273) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 4,4-difluoro-3-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(3-methylphenyl)piperidine
PubChem CID84723273
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4,4-difluoro-3-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CNCCC2(F)F)c1
InChIInChI=1S/C12H15F2N/c1-9-3-2-4-10(7-9)11-8-15-6-5-12(11,13)14/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyWFMCEGMERZIHPY-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
CID 114285264
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
4-[(3S)-4,4-difluoropiperidin-3-yl]-1-hydroxypyridin-1-ium
CID 176950744
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
(2R)-2-(3-methylphenyl)morpholine
CID 42182782

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(3-methylphenyl)piperidine?
The IUPAC name of 4,4-difluoro-3-(3-methylphenyl)piperidine (CID 84723273) is 4,4-difluoro-3-(3-methylphenyl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(3-methylphenyl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(3-methylphenyl)piperidine is Cc1cccc(C2CNCCC2(F)F)c1.
What is the InChIKey of 4,4-difluoro-3-(3-methylphenyl)piperidine?
The InChIKey is WFMCEGMERZIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-9-3-2-4-10(7-9)11-8-15-6-5-12(11,13)14/h2-4,7,11,15H,5-6,8H2,1H3.
What are the key properties of 4,4-difluoro-3-(3-methylphenyl)piperidine?
4,4-difluoro-3-(3-methylphenyl)piperidine has a molecular weight of 211.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(3-methylphenyl)piperidine is sourced from PubChem (CID 84723273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).