(2R,5S)-1-ethyl-2,5-dimethylpiperazine

• ChemBase ID: 289212
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C[C@@H]1NC[C@@H](C)N(CC)C1
• Canonical SMILES: CCN1C[C@H](C)NC[C@H]1C
• InChI: InChI=1S/C8H18N2/c1-4-10-6-7(2)9-5-8(10)3/h7-9H,4-6H2,1-3H3/t7-,8+/m0/s1
• InChIKey: QNTATFFRXJXEKI-JGVFFNPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5S)-1-ethyl-2,5-dimethylpiperazine
• IUPAC Traditional name: (2R,5S)-1-ethyl-2,5-dimethylpiperazine
• Synonyms: (2R,5S)-rel-1-Ethyl-2,5-dimethylpiperazine

Database IDs

• CAS Number: 1072102-65-8
• PubChem SID: 180674743
• PubChem CID: 55299321

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8826988
• LogD (pH = 7.4): -1.6898712
• Log P: 0.8441991
• Molar Refractivity: 44.3297 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%