(1-phenylpiperidin-3-yl)methanol

• ChemBase ID: 292409
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: OCC1CCCN(C1)c1ccccc1
• Canonical SMILES: OCC1CCCN(C1)c1ccccc1
• InChI: InChI=1S/C12H17NO/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2
• InChIKey: DWXSPTMWXSKPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpiperidin-3-yl)methanol
• IUPAC Traditional name: (1-phenylpiperidin-3-yl)methanol
• Synonyms: (1-Phenylpiperidin-3-yl)methanol

Database IDs

• CAS Number: 1081515-81-2
• PubChem SID: 180677940
• PubChem CID: 22366853

CALCULATED PROPERTIES

• Acid pKa: 15.430763
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6740036
• LogD (pH = 7.4): 1.8977565
• Log P: 1.9015068
• Molar Refractivity: 58.9301 cm^3
• Polarizability: 22.415714 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%