1-(4-fluorophenyl)piperidin-4-one

• ChemBase ID: 262048
• Molecular Formular: C11H12FNO
• Molecular Mass: 193.2174832
• Monoisotopic Mass: 193.09029223
• SMILES: N1(c2ccc(cc2)F)CCC(=O)CC1
• Canonical SMILES: O=C1CCN(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C11H12FNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
• InChIKey: OLYMDXQWTWIJHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)piperidin-4-one
• IUPAC Traditional name: 1-(4-fluorophenyl)piperidin-4-one
• Synonyms: 1-(4-fluorophenyl)piperidin-4-one

Database IDs

• CAS Number: 116247-98-4
• MDL Number: MFCD05864502
• PubChem SID: 164317958
• PubChem CID: 606284

CALCULATED PROPERTIES

• Acid pKa: 18.339054
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.200496
• LogD (pH = 7.4): 2.206873
• Log P: 2.206955
• Molar Refractivity: 53.1784 cm^3
• Polarizability: 19.69035 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.849

Product Information

• Purity: 95%; 98%