(2S,5S)-2,5-bis(2-methylpropyl)piperazine dihydrochloride

• ChemBase ID: 799803
• Molecular Formular: C12H28Cl2N2
• Molecular Mass: 271.27012
• Monoisotopic Mass: 270.16295427
• SMILES: Cl.Cl.[C@@H]1(CN[C@H](CN1)CC(C)C)CC(C)C
• Canonical SMILES: CC(C[C@@H]1NC[C@@H](NC1)CC(C)C)C.Cl.Cl
• InChI: InChI=1S/C12H26N2.2ClH/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4;;/h9-14H,5-8H2,1-4H3;2*1H/t11-,12-;;/m0../s1
• InChIKey: BRIPGYVYCIBRJN-AQEKLAMFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-bis(2-methylpropyl)piperazine dihydrochloride
• IUPAC Traditional name: (2S,5S)-2,5-bis(2-methylpropyl)piperazine dihydrochloride
• Synonyms: (2S,5S)-2,5-diisobutylpiperazine dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9773797
• LogD (pH = 7.4): 0.16758376
• Log P: 2.6125636
• Molar Refractivity: 61.6336 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%