1-[(2,6-difluorophenyl)methyl]piperidine

C12H15F2N — CID 728265

IUPAC1-[(2,6-difluorophenyl)methyl]piperidine
SMILESFc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2
InChIKeyOCINSQFYCYSWDE-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.95
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]piperidine

1-[(2,6-difluorophenyl)methyl]piperidine (PubChem CID 728265) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]piperidine
PubChem CID728265
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-[(2,6-difluorophenyl)methyl]piperidine
SMILESFc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2
InChIKeyOCINSQFYCYSWDE-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2,6-difluorophenyl)methyl]piperidine 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 1-[(2,6-difluorophenyl)methyl]piperidine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]piperidine (CID 728265) is 1-[(2,6-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]piperidine is Fc1cccc(F)c1CN1CCCCC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]piperidine?
The InChIKey is OCINSQFYCYSWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]piperidine?
1-[(2,6-difluorophenyl)methyl]piperidine has a molecular weight of 211.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 728265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).