(3R)-3-ethylpiperazin-2-one

• ChemBase ID: 808153
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(=O)[C@H](NCCN1)CC
• Canonical SMILES: CC[C@H]1NCCNC1=O
• InChI: InChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
• InChIKey: BAOOEQIOVFBREJ-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-ethylpiperazin-2-one
• IUPAC Traditional name: (3R)-3-ethylpiperazin-2-one
• Synonyms: (R)-3-ETHYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.5928135
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1718576
• LogD (pH = 7.4): -0.6330891
• Log P: -0.37840003
• Molar Refractivity: 34.5458 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%