4-(2-fluorophenyl)piperidin-4-ol

• ChemBase ID: 14915
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: C1(c2c(cccc2)F)(CCNCC1)O
• Canonical SMILES: Fc1ccccc1C1(O)CCNCC1
• InChI: InChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
• InChIKey: CZSXGDMJPLTNTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(2-fluorophenyl)piperidin-4-ol
• Synonyms: 4-(2-Fluoro-phenyl)-piperidin-4-ol

Database IDs

• CAS Number: 871113-19-8
• MDL Number: MFCD05237198
• PubChem SID: 160978222
• PubChem CID: 5195439

CALCULATED PROPERTIES

• Acid pKa: 13.691497
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2247329
• LogD (pH = 7.4): -0.9915898
• Log P: 0.9161249
• Molar Refractivity: 53.1363 cm^3
• Polarizability: 20.60327 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