(2S,5S)-2,5-bis(propan-2-yl)piperazine dihydrochloride

• ChemBase ID: 799802
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: Cl.Cl.[C@@H]1(CN[C@H](CN1)C(C)C)C(C)C
• Canonical SMILES: CC([C@@H]1NC[C@@H](NC1)C(C)C)C.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-7(2)9-5-12-10(6-11-9)8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H/t9-,10-;;/m1../s1
• InChIKey: FCHRFVJFWFDWFC-HSTMFJOWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-bis(propan-2-yl)piperazine dihydrochloride
• IUPAC Traditional name: (2S,5S)-2,5-diisopropylpiperazine dihydrochloride
• Synonyms: (2S,5S)-2,5-diisopropylpiperazine dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7993292
• LogD (pH = 7.4): -0.6803032
• Log P: 1.8793336
• Molar Refractivity: 52.2776 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%