(4-chlorophenyl)(piperidin-4-yl)methanol

• ChemBase ID: 272674
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: C(c1ccc(cc1)Cl)(C1CCNCC1)O
• Canonical SMILES: OC(c1ccc(cc1)Cl)C1CCNCC1
• InChI: InChI=1S/C12H16ClNO/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: UQGIFKXJSLUMSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(piperidin-4-yl)methanol
• IUPAC Traditional name: (4-chlorophenyl)(piperidin-4-yl)methanol
• Synonyms: (4-chlorophenyl)(piperidin-4-yl)methanol

Database IDs

• MDL Number: MFCD09890713
• PubChem SID: 164328584
• PubChem CID: 558501

CALCULATED PROPERTIES

• Acid pKa: 14.182883
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.246967
• LogD (pH = 7.4): -0.57561755
• Log P: 1.9740667
• Molar Refractivity: 62.3233 cm^3
• Polarizability: 24.647953 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.828

Product Information

• Purity: 95%