4-(3-fluorophenyl)piperidine

• ChemBase ID: 800982
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: C1(CCNCC1)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)C1CCNCC1
• InChI: InChI=1S/C11H14FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
• InChIKey: BCYGJJOHAFKLLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenyl)piperidine
• IUPAC Traditional name: 4-(3-fluorophenyl)piperidine
• Synonyms: 4-(3-Fluoro-phenyl)-piperidine

Database IDs

• CAS Number: 104774-88-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.99983823
• LogD (pH = 7.4): -0.3256003
• Log P: 2.2210126
• Molar Refractivity: 51.6954 cm^3
• Polarizability: 19.902761 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%