(4-fluorophenyl)(piperidin-4-yl)methanol

• ChemBase ID: 34153
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: c1(ccc(cc1)F)C(C1CCNCC1)O
• Canonical SMILES: OC(c1ccc(cc1)F)C1CCNCC1
• InChI: InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,12,14-15H,5-8H2
• InChIKey: GEOSFHFASCZYCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(piperidin-4-yl)methanol
• IUPAC Traditional name: (4-fluorophenyl)(piperidin-4-yl)methanol
• Synonyms: (4-Fluorophenyl)(piperidin-4-yl)methanol; (4-FLUORO-PHENYL)-PIPERIDIN-4-YL-METHANOL

Database IDs

• CAS Number: 54924-33-3
• MDL Number: MFCD06809667
• PubChem SID: 160997460
• PubChem CID: 4778266

CALCULATED PROPERTIES

• Acid pKa: 14.185737
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7083098
• LogD (pH = 7.4): -1.0369604
• Log P: 1.512724
• Molar Refractivity: 57.7349 cm^3
• Polarizability: 22.441658 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 1.258

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%