(6R)-6-(2-methylpropyl)piperazin-2-one

• ChemBase ID: 808207
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(=O)CNC[C@H](N1)CC(C)C
• Canonical SMILES: CC(C[C@@H]1CNCC(=O)N1)C
• InChI: InChI=1S/C8H16N2O/c1-6(2)3-7-4-9-5-8(11)10-7/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1
• InChIKey: SAVCPAVRQLPSTB-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-6-(2-methylpropyl)piperazin-2-one
• IUPAC Traditional name: (6R)-6-(2-methylpropyl)piperazin-2-one
• Synonyms: (R)-6-ISOBUTYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.660044
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5019668
• LogD (pH = 7.4): -0.0140321
• Log P: 0.20099853
• Molar Refractivity: 43.6203 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%