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

• ChemBase ID: 271326
• Molecular Formular: C10H18N4
• Molecular Mass: 194.27672
• Monoisotopic Mass: 194.1531466
• SMILES: c1(n(ccn1)CC)CN1CCNCC1
• Canonical SMILES: CCn1ccnc1CN1CCNCC1
• InChI: InChI=1S/C10H18N4/c1-2-14-8-5-12-10(14)9-13-6-3-11-4-7-13/h5,8,11H,2-4,6-7,9H2,1H3
• InChIKey: POOUPOSIFGYLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08669048
• PubChem SID: 164327236
• PubChem CID: 54592588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7418752
• LogD (pH = 7.4): -1.9081588
• Log P: -0.086105324
• Molar Refractivity: 57.2832 cm^3
• Polarizability: 22.274042 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.249

Product Information

• Purity: 95%