1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(oxolan-3-ylmethyl)piperazine

• ChemBase ID: 665998
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(n(ccn1)C)CN1CCN(CC2COCC2)CC1
• Canonical SMILES: Cn1ccnc1CN1CCN(CC1)CC1COCC1
• InChI: InChI=1S/C14H24N4O/c1-16-4-3-15-14(16)11-18-7-5-17(6-8-18)10-13-2-9-19-12-13/h3-4,13H,2,5-12H2,1H3
• InChIKey: ICZNLQQGQXYUJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(oxolan-3-ylmethyl)piperazine
• IUPAC Traditional name: 1-[(1-methylimidazol-2-yl)methyl]-4-(oxolan-3-ylmethyl)piperazine
• Synonyms: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(tetrahydrofuran-3-ylmethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.488642
• LogD (pH = 7.4): -1.3921274
• Log P: -0.041090436
• Molar Refractivity: 76.423 cm^3
• Polarizability: 29.603455 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.48
• LOG S: 0.29
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4