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

• ChemBase ID: 286010
• Molecular Formular: C11H21ClN4
• Molecular Mass: 244.76424
• Monoisotopic Mass: 244.14547437
• SMILES: c1(n(ccn1)CC)CN1C(CNCC1)C.Cl
• Canonical SMILES: CCn1ccnc1CN1CCNCC1C.Cl
• InChI: InChI=1S/C11H20N4.ClH/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;1H
• InChIKey: LQWNHCAIOBWODY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602691
• PubChem SID: 180671541
• PubChem CID: 73994794

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%