(6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-one

• ChemBase ID: 810265
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C1(=O)CNC[C@@H](N1Cc1ccccc1)CO
• Canonical SMILES: OC[C@H]1CNCC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C12H16N2O2/c15-9-11-6-13-7-12(16)14(11)8-10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2/t11-/m1/s1
• InChIKey: GNVFAVLGCLMETR-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-one
• IUPAC Traditional name: (6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-one
• Synonyms: (R)-1-BENZYL-6-HYDROXYMETHYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 15.053571
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3827205
• LogD (pH = 7.4): -0.2323073
• Log P: -0.15187241
• Molar Refractivity: 60.9997 cm^3
• Polarizability: 23.999968 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%