(1-phenylpiperidin-2-yl)methanol

• ChemBase ID: 292410
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: OCC1CCCCN1c1ccccc1
• Canonical SMILES: OCC1CCCCN1c1ccccc1
• InChI: InChI=1S/C12H17NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2
• InChIKey: BNDNPZOALFZNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpiperidin-2-yl)methanol
• IUPAC Traditional name: (1-phenylpiperidin-2-yl)methanol
• Synonyms: (1-Phenylpiperidin-2-yl)methanol

Database IDs

• CAS Number: 1246743-90-7
• PubChem SID: 180677941
• PubChem CID: 53690874

CALCULATED PROPERTIES

• Acid pKa: 15.099425
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2970486
• LogD (pH = 7.4): 2.301267
• Log P: 2.3013208
• Molar Refractivity: 58.5911 cm^3
• Polarizability: 22.415468 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%