N-[1-(1-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

• ChemBase ID: 808987
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: C(=O)(CC)N(c1ccccc1)C1CCN(CC1)C(Cc1ccccc1)O
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(Cc1ccccc1)O
• InChI: InChI=1S/C22H28N2O2/c1-2-21(25)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)22(26)17-18-9-5-3-6-10-18/h3-12,20,22,26H,2,13-17H2,1H3
• InChIKey: SFGPUNPRPAPHFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
• IUPAC Traditional name: N-[1-(1-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
• Synonyms: N-[1-(1-HYDROXY-2-PHENYL-ETHYL)-PIPERIDIN-4-YL]-N-PHENYL-PROPIONAMIDE

Database IDs

• CAS Number: 192385-57-2

CALCULATED PROPERTIES

• Acid pKa: 13.488418
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3154082
• LogD (pH = 7.4): 2.9151573
• Log P: 3.222573
• Molar Refractivity: 104.6228 cm^3
• Polarizability: 40.888206 Å^3
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%