(2S)-2-(2-methylpropyl)piperazine dihydrochloride

• ChemBase ID: 799813
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: Cl.Cl.[C@@H]1(CNCCN1)CC(C)C
• Canonical SMILES: CC(C[C@@H]1NCCNC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-7(2)5-8-6-9-3-4-10-8;;/h7-10H,3-6H2,1-2H3;2*1H/t8-;;/m0../s1
• InChIKey: QYTGHACPXVRWBK-JZGIKJSDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(2-methylpropyl)piperazine dihydrochloride
• IUPAC Traditional name: (2S)-2-(2-methylpropyl)piperazine dihydrochloride
• Synonyms: (S)-2-isobutylpiperazine dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5080314
• LogD (pH = 7.4): -1.3178856
• Log P: 0.9418784
• Molar Refractivity: 43.5412 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%