2-phenyl-3-(piperidin-1-yl)propan-1-ol

• ChemBase ID: 801085
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C(C(CN1CCCCC1)c1ccccc1)O
• Canonical SMILES: OCC(c1ccccc1)CN1CCCCC1
• InChI: InChI=1S/C14H21NO/c16-12-14(13-7-3-1-4-8-13)11-15-9-5-2-6-10-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2
• InChIKey: SKVSDAJJKLVHSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-3-(piperidin-1-yl)propan-1-ol
• IUPAC Traditional name: 2-phenyl-3-(piperidin-1-yl)propan-1-ol
• Synonyms: 2-Phenyl-3-piperidin-1-yl-propan-1-ol

Database IDs

• CAS Number: 802559-15-5

CALCULATED PROPERTIES

• Acid pKa: 15.341103
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.335031
• LogD (pH = 7.4): 0.02235908
• Log P: 2.023521
• Molar Refractivity: 67.7992 cm^3
• Polarizability: 26.421572 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%