1-(2-methylpropyl)piperazine dihydrochloride

• ChemBase ID: 294048
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: CC(C)CN1CCNCC1.Cl.Cl
• Canonical SMILES: CC(CN1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-8(2)7-10-5-3-9-4-6-10;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: KPVDVCZLTWMQNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(2-methylpropyl)piperazine dihydrochloride
• Synonyms: 1-Isobutylpiperazine dihydrochloride; 1-ISOBUTYL-PIPERAZINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 33174-08-2
• PubChem SID: 180679579
• PubChem CID: 2759388

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5019178
• LogD (pH = 7.4): -1.5520215
• Log P: 0.8985443
• Molar Refractivity: 44.4877 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%