(5R)-5-cyclohexylpiperazin-2-one

• ChemBase ID: 808188
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1(=O)CN[C@@H](CN1)C1CCCCC1
• Canonical SMILES: O=C1CN[C@@H](CN1)C1CCCCC1
• InChI: InChI=1S/C10H18N2O/c13-10-7-11-9(6-12-10)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,12,13)/t9-/m0/s1
• InChIKey: AFGSXDQBZCWFKC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-cyclohexylpiperazin-2-one
• IUPAC Traditional name: (5R)-5-cyclohexylpiperazin-2-one
• Synonyms: (R)-5-CYCLOHEXYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.671891
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2505891
• LogD (pH = 7.4): 0.365503
• Log P: 0.7043637
• Molar Refractivity: 50.9431 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%