1-(4-fluorobenzoyl)piperidine

• ChemBase ID: 96949
• Molecular Formular: C12H14FNO
• Molecular Mass: 207.2440632
• Monoisotopic Mass: 207.10594229
• SMILES: Fc1ccc(cc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1ccc(cc1)F)N1CCCCC1
• InChI: InChI=1S/C12H14FNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
• InChIKey: UVBXLMBIXAPNBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorobenzoyl)piperidine
• IUPAC Traditional name: 1-(4-fluorobenzoyl)piperidine
• Synonyms: N-(4-Fluorobenzoyl)piperidine 97%

Database IDs

• CAS Number: 58547-67-4
• MDL Number: MFCD00174322
• PubChem SID: 162083593
• PubChem CID: 2737266

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.264305
• LogD (pH = 7.4): 2.2643063
• Log P: 2.2643063
• Molar Refractivity: 57.2882 cm^3
• Polarizability: 21.307583 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62°C

Safety Information

• Storage Warning: Irritant