(1-benzoylpiperidin-3-yl)methanol

• ChemBase ID: 286560
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: N1(C(=O)c2ccccc2)CC(CO)CCC1
• Canonical SMILES: OCC1CCCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H17NO2/c15-10-11-5-4-8-14(9-11)13(16)12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2
• InChIKey: RBCXTGBKJQBEKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00783787
• PubChem SID: 180672091
• PubChem CID: 3273574

CALCULATED PROPERTIES

• Acid pKa: 15.430613
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0914532
• LogD (pH = 7.4): 1.0914552
• Log P: 1.0914553
• Molar Refractivity: 63.3733 cm^3
• Polarizability: 24.098074 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.332

Product Information

• Purity: 95%