2-(3-fluorophenyl)piperidine

• ChemBase ID: 306580
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: c1(C2NCCCC2)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1
• InChI: InChI=1S/C11H14FN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8,11,13H,1-2,6-7H2
• InChIKey: YTYUBQPJRNWHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)piperidine
• IUPAC Traditional name: 2-(3-fluorophenyl)piperidine
• Synonyms: 2-(3-fluorophenyl)piperidine

Database IDs

• CAS Number: 383128-42-5
• MDL Number: MFCD02663623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5818661
• LogD (pH = 7.4): 0.5466008
• Log P: 2.5844297
• Molar Refractivity: 51.3346 cm^3
• Polarizability: 19.976847 Å^3
• Polar Surface Area: 12.03 Å^2