(5R)-5-benzylpiperazin-2-one

• ChemBase ID: 808194
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C1(=O)CN[C@@H](CN1)Cc1ccccc1
• Canonical SMILES: O=C1NC[C@H](NC1)Cc1ccccc1
• InChI: InChI=1S/C11H14N2O/c14-11-8-12-10(7-13-11)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m1/s1
• InChIKey: OBXVPOFETUFKDA-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-benzylpiperazin-2-one
• IUPAC Traditional name: (5R)-5-benzylpiperazin-2-one
• Synonyms: (R)-5-BENZYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.509564
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7817249
• LogD (pH = 7.4): 0.4903402
• Log P: 0.60321474
• Molar Refractivity: 54.5657 cm^3
• Polarizability: 21.54157 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%