(1-phenylpiperidin-4-yl)methanol

• ChemBase ID: 180439
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(O)C1CCN(CC1)c1ccccc1
• Canonical SMILES: OCC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C12H17NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,14H,6-10H2
• InChIKey: TXXOCHYAPLXLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpiperidin-4-yl)methanol
• IUPAC Traditional name: (1-phenylpiperidin-4-yl)methanol
• Synonyms: (1-Phenylpiperidin-4-yl)methanol

Database IDs

• CAS Number: 697306-45-9
• PubChem SID: 164236349
• PubChem CID: 17768191

CALCULATED PROPERTIES

• Acid pKa: 15.467152
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5558767
• LogD (pH = 7.4): 1.854436
• Log P: 1.8599501
• Molar Refractivity: 59.0289 cm^3
• Polarizability: 22.41573 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%