4-(2,4-difluorophenyl)piperidine

• ChemBase ID: 800963
• Molecular Formular: C11H13F2N
• Molecular Mass: 197.2244264
• Monoisotopic Mass: 197.10160586
• SMILES: C1(CCNCC1)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)C1CCNCC1
• InChI: InChI=1S/C11H13F2N/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
• InChIKey: KUYHSQRDRQUVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-difluorophenyl)piperidine
• IUPAC Traditional name: 4-(2,4-difluorophenyl)piperidine
• Synonyms: 4-(2,4-Difluoro-phenyl)-piperidine

Database IDs

• CAS Number: 291289-50-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8544975
• LogD (pH = 7.4): -0.14071445
• Log P: 2.3637147
• Molar Refractivity: 51.9118 cm^3
• Polarizability: 19.59651 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%