3-(3,5-difluorophenyl)-5-methylpiperidine

C12H15F2N — CID 115375231

IUPAC3-(3,5-difluorophenyl)-5-methylpiperidine
SMILESCC1CNCC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2N/c1-8-2-10(7-15-6-8)9-3-11(13)5-12(14)4-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyKMAJWMYDNPIRDR-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.68
Rot. Bonds1

About 3-(3,5-difluorophenyl)-5-methylpiperidine

3-(3,5-difluorophenyl)-5-methylpiperidine (PubChem CID 115375231) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-methylpiperidine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-methylpiperidine
PubChem CID115375231
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3-(3,5-difluorophenyl)-5-methylpiperidine
SMILESCC1CNCC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2N/c1-8-2-10(7-15-6-8)9-3-11(13)5-12(14)4-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeyKMAJWMYDNPIRDR-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
3-(3-bromophenyl)-5-methylpiperidine
CID 82381656
3-methyl-5-naphthalen-2-ylpiperidine
CID 115375238
5-methyl-3-azabicyclo[5.2.1]decan-10-one
CID 143710984
3-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 115375246
3-(2,3-difluorophenyl)-5-methylpiperidine
CID 115502757
3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-(4-fluorophenyl)azetidine
CID 55250938
azane;3,5-dimethylpiperidine
CID 23174858
2-[(4S)-4-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-oxoacetic acid;hydrochloride
CID 156632480
3-methyl-5-(2-methyltetrazol-5-yl)piperidine
CID 130993639

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-methylpiperidine?
The IUPAC name of 3-(3,5-difluorophenyl)-5-methylpiperidine (CID 115375231) is 3-(3,5-difluorophenyl)-5-methylpiperidine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-methylpiperidine?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-methylpiperidine is CC1CNCC(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-methylpiperidine?
The InChIKey is KMAJWMYDNPIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-2-10(7-15-6-8)9-3-11(13)5-12(14)4-9/h3-5,8,10,15H,2,6-7H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-5-methylpiperidine?
3-(3,5-difluorophenyl)-5-methylpiperidine has a molecular weight of 211.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-methylpiperidine is sourced from PubChem (CID 115375231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).