4-(3-fluorophenyl)piperidin-4-ol

• ChemBase ID: 35364
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: C1(c2cc(F)ccc2)(CCNCC1)O
• Canonical SMILES: Fc1cccc(c1)C1(O)CCNCC1
• InChI: InChI=1S/C11H14FNO/c12-10-3-1-2-9(8-10)11(14)4-6-13-7-5-11/h1-3,8,13-14H,4-7H2
• InChIKey: XFSVMZMGUSRBJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(3-fluorophenyl)piperidin-4-ol
• Synonyms: 4-(3-Fluorophenyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD08689268
• PubChem SID: 160998671
• PubChem CID: 12763906

CALCULATED PROPERTIES

• Acid pKa: 13.898226
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2348402
• LogD (pH = 7.4): -1.0395159
• Log P: 0.9161249
• Molar Refractivity: 53.1363 cm^3
• Polarizability: 20.603466 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false