4-(2,3-difluorophenyl)-1-methylpiperidine

C12H15F2N — CID 57438792

IUPAC4-(2,3-difluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C12H15F2N/c1-15-7-5-9(6-8-15)10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyIUTVYQJPAHSWJM-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.77
Rot. Bonds1

About 4-(2,3-difluorophenyl)-1-methylpiperidine

4-(2,3-difluorophenyl)-1-methylpiperidine (PubChem CID 57438792) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-1-methylpiperidine
PubChem CID57438792
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-(2,3-difluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C12H15F2N/c1-15-7-5-9(6-8-15)10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyIUTVYQJPAHSWJM-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2,3-difluorophenyl)-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-1-methylpiperidine?
The IUPAC name of 4-(2,3-difluorophenyl)-1-methylpiperidine (CID 57438792) is 4-(2,3-difluorophenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-1-methylpiperidine?
The canonical SMILES for 4-(2,3-difluorophenyl)-1-methylpiperidine is CN1CCC(c2cccc(F)c2F)CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)-1-methylpiperidine?
The InChIKey is IUTVYQJPAHSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-15-7-5-9(6-8-15)10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(2,3-difluorophenyl)-1-methylpiperidine?
4-(2,3-difluorophenyl)-1-methylpiperidine has a molecular weight of 211.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-1-methylpiperidine is sourced from PubChem (CID 57438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).