[3-(piperidin-4-yl)phenyl]methanol

• ChemBase ID: 800419
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(O)c1cc(ccc1)C1CCNCC1
• Canonical SMILES: OCc1cccc(c1)C1CCNCC1
• InChI: InChI=1S/C12H17NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-3,8,11,13-14H,4-7,9H2
• InChIKey: RQLZNYDLRDDTRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(piperidin-4-yl)phenyl]methanol
• IUPAC Traditional name: [3-(piperidin-4-yl)phenyl]methanol
• Synonyms: (3-(piperidin-4-yl)phenyl)methanol

CALCULATED PROPERTIES

• Acid pKa: 15.036267
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9108367
• LogD (pH = 7.4): -1.2517838
• Log P: 1.310961
• Molar Refractivity: 58.2949 cm^3
• Polarizability: 22.725327 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%