1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine dihydrochloride

• ChemBase ID: 235003
• Molecular Formular: C11H22Cl2N4
• Molecular Mass: 281.22518
• Monoisotopic Mass: 280.12215208
• SMILES: c1(n(ccn1)CC)CN1C(CNCC1)C.Cl.Cl
• Canonical SMILES: CCn1ccnc1CN1CCNCC1C.Cl.Cl
• InChI: InChI=1S/C11H20N4.2ClH/c1-3-14-7-5-13-11(14)9-15-6-4-12-8-10(15)2;;/h5,7,10,12H,3-4,6,8-9H2,1-2H3;2*1H
• InChIKey: VIDMBHMXMNAJFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine dihydrochloride
• IUPAC Traditional name: 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine dihydrochloride
• Synonyms: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine dihydrochloride

Database IDs

• MDL Number: MFCD22056352
• PubChem SID: 164290913
• PubChem CID: 71755406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3542538
• LogD (pH = 7.4): -1.612562
• Log P: 0.3304697
• Molar Refractivity: 61.702 cm^3
• Polarizability: 24.11745 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.768

Product Information

• Purity: 95%