1-(2-methylpropyl)piperazine hydrochloride

• ChemBase ID: 259511
• Molecular Formular: C8H19ClN2
• Molecular Mass: 178.70286
• Monoisotopic Mass: 178.1236763
• SMILES: N1(CC(C)C)CCNCC1.Cl
• Canonical SMILES: CC(CN1CCNCC1)C.Cl
• InChI: InChI=1S/C8H18N2.ClH/c1-8(2)7-10-5-3-9-4-6-10;/h8-9H,3-7H2,1-2H3;1H
• InChIKey: FGLSTELVMGHVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(2-methylpropyl)piperazine hydrochloride
• Synonyms: 1-(2-methylpropyl)piperazine hydrochloride

Database IDs

• MDL Number: MFCD11858078
• PubChem SID: 164315421
• PubChem CID: 18414432

CALCULATED PROPERTIES

• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.219

Product Information

• Purity: 95%