2-(4-fluorophenyl)piperidine

• ChemBase ID: 19383
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: N1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1
• InChI: InChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2
• InChIKey: IAQQDIGGISSSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)piperidine
• Synonyms: 2-(4-Fluorophenyl)piperidine

Database IDs

• CAS Number: 383128-03-8
• MDL Number: MFCD02663556
• PubChem SID: 160982690
• PubChem CID: 3686126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59331703
• LogD (pH = 7.4): 0.47531363
• Log P: 2.5844297
• Molar Refractivity: 51.3346 cm^3
• Polarizability: 19.976864 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false