3-(4-fluorophenyl)piperidine

• ChemBase ID: 306425
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: N1CC(c2ccc(cc2)F)CCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCNC1
• InChI: InChI=1S/C11H14FN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2
• InChIKey: NKQDGXBXNNRWPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 676495-94-6
• MDL Number: MFCD08687917

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92102367
• LogD (pH = 7.4): -0.23345593
• Log P: 2.2989664
• Molar Refractivity: 51.6184 cm^3
• Polarizability: 19.901676 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%