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

• ChemBase ID: 800415
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(O)c1ccc(cc1)C1CCNCC1
• Canonical SMILES: OCc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C12H17NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-4,12-14H,5-9H2
• InChIKey: XILJROLFLMLLDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.045454
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9110149
• LogD (pH = 7.4): -1.254884
• Log P: 1.310961
• Molar Refractivity: 58.2949 cm^3
• Polarizability: 22.725279 Å^3

PROPERTIES

Product Information

• Purity: 98%