4-(4-methylphenyl)piperidin-4-ol

• ChemBase ID: 16384
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1(c2ccc(cc2)C)(CCNCC1)O
• Canonical SMILES: OC1(CCNCC1)c1ccc(cc1)C
• InChI: InChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3
• InChIKey: MEFDFYOJQUOHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylphenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(4-methylphenyl)piperidin-4-ol
• Synonyms: 4-(4-methylphenyl)piperidin-4-ol; 4-p-Tolyl-piperidin-4-ol

Database IDs

• CAS Number: 57988-60-0
• MDL Number: MFCD00087127
• PubChem SID: 160979691
• PubChem CID: 93912

CALCULATED PROPERTIES

• Acid pKa: 14.026957
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8708438
• LogD (pH = 7.4): -0.7032553
• Log P: 1.2868444
• Molar Refractivity: 57.9611 cm^3
• Polarizability: 22.72654 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