1-(1-methoxypropan-2-yl)piperazine dihydrochloride

• ChemBase ID: 270179
• Molecular Formular: C8H20Cl2N2O
• Molecular Mass: 231.1632
• Monoisotopic Mass: 230.09526863
• SMILES: N1(C(COC)C)CCNCC1.Cl.Cl
• Canonical SMILES: COCC(N1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2O.2ClH/c1-8(7-11-2)10-5-3-9-4-6-10;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: ZMPDRRNPIRIOKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methoxypropan-2-yl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(1-methoxypropan-2-yl)piperazine dihydrochloride
• Synonyms: 1-(1-methoxypropan-2-yl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD17167228
• PubChem SID: 164326089
• PubChem CID: 50988385

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3367565
• LogD (pH = 7.4): -1.9801358
• Log P: 0.023840623
• Molar Refractivity: 46.2058 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 0.254

Product Information

• Purity: 95%