2-(2,3-difluoro-4-methylphenyl)piperidine

C12H15F2N — CID 84678474

IUPAC2-(2,3-difluoro-4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCCN2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-8-5-6-9(12(14)11(8)13)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyWUXBTTTXLAONID-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.09
Rot. Bonds1

About 2-(2,3-difluoro-4-methylphenyl)piperidine

2-(2,3-difluoro-4-methylphenyl)piperidine (PubChem CID 84678474) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)piperidine
PubChem CID84678474
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(2,3-difluoro-4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCCN2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-8-5-6-9(12(14)11(8)13)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyWUXBTTTXLAONID-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
2,3-difluoro-4-piperidin-2-ylbenzoic acid
CID 117354547
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
(2S)-2-(2-fluoro-3-methylphenyl)azetidine
CID 131182197
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)piperidine?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)piperidine (CID 84678474) is 2-(2,3-difluoro-4-methylphenyl)piperidine.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)piperidine?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)piperidine is Cc1ccc(C2CCCCN2)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)piperidine?
The InChIKey is WUXBTTTXLAONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-5-6-9(12(14)11(8)13)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)piperidine?
2-(2,3-difluoro-4-methylphenyl)piperidine has a molecular weight of 211.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)piperidine is sourced from PubChem (CID 84678474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).