4-(4-fluorophenyl)piperidine

• ChemBase ID: 813418
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: C1(CCNCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
• InChIKey: AFYALJSDFPSAAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37656-48-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0011822
• LogD (pH = 7.4): -0.34867194
• Log P: 2.2210126
• Molar Refractivity: 51.6954 cm^3
• Polarizability: 19.902372 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%