4-(4-fluorobenzoyl)piperidine

• ChemBase ID: 796149
• Molecular Formular: C12H14FNO
• Molecular Mass: 207.2440632
• Monoisotopic Mass: 207.10594229
• SMILES: C1(CCNCC1)C(=O)c1ccc(cc1)F
• Canonical SMILES: O=C(c1ccc(cc1)F)C1CCNCC1
• InChI: InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
• InChIKey: ABERUOJGWHYBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorobenzoyl)piperidine
• IUPAC Traditional name: 4-(4-fluorobenzoyl)piperidine
• Synonyms: 4-(4-Fluorobenzoyl)piperidine

Database IDs

• CAS Number: 25519-78-2; 56346-57-7

CALCULATED PROPERTIES

• Acid pKa: 16.647728
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4448847
• LogD (pH = 7.4): -0.79010445
• Log P: 1.7771732
• Molar Refractivity: 57.1088 cm^3
• Polarizability: 21.88143 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%