4-(4-fluorophenyl)piperidin-4-ol hydrochloride

• ChemBase ID: 98949
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: Fc1ccc(cc1)C1(CCNCC1)O.Cl
• Canonical SMILES: OC1(CCNCC1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;/h1-4,13-14H,5-8H2;1H
• InChIKey: XWAMSNBDXDQRRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)piperidin-4-ol hydrochloride
• IUPAC Traditional name: 4-(4-fluorophenyl)piperidin-4-ol hydrochloride
• Synonyms: 4-(4-Fluorophenyl)piperidin-4-ol hydrochloride; 4-(4-Fluorophenyl)-4-hydroxypiperidine hydrochloride; 4-(4-Fluorophenyl)piperidin-4-ol hydrochloride; 4-(4-Fluoro-phenyl)-piperidin-4-ol hydrochloride

Database IDs

• CAS Number: 3888-65-1; 3929-30-4
• MDL Number: MFCD06795784
• PubChem SID: 162085272
• PubChem CID: 2759099

CALCULATED PROPERTIES

• Acid pKa: 13.969317
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2399547
• LogD (pH = 7.4): -1.065522
• Log P: 0.9161249
• Molar Refractivity: 53.1363 cm^3
• Polarizability: 20.603489 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 97%