(2S,5S)-2,5-dimethylpiperazine dihydrochloride

• ChemBase ID: 799801
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: Cl.Cl.[C@@H]1(CN[C@H](CN1)C)C
• Canonical SMILES: C[C@@H]1NC[C@@H](NC1)C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-5-3-8-6(2)4-7-5;;/h5-8H,3-4H2,1-2H3;2*1H/t5-,6-;;/m0../s1
• InChIKey: GOTVEDVYURXGPS-USPAICOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-dimethylpiperazine dihydrochloride
• IUPAC Traditional name: (2S,5S)-2,5-dimethylpiperazine dihydrochloride
• Synonyms: (2S,5S)-2,5-dimethylpiperazine dihydrochloride

Database IDs

• CAS Number: 325148-85-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3561428
• LogD (pH = 7.4): -2.2012966
• Log P: 0.10434322
• Molar Refractivity: 34.2864 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%