1-benzyl-4-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]piperazine

• ChemBase ID: 842659
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: c1(n(ccn1)CCN1CCN(Cc2ccccc2)CC1)C1CC1
• Canonical SMILES: c1ccc(cc1)CN1CCN(CC1)CCn1ccnc1C1CC1
• InChI: InChI=1S/C19H26N4/c1-2-4-17(5-3-1)16-22-12-10-21(11-13-22)14-15-23-9-8-20-19(23)18-6-7-18/h1-5,8-9,18H,6-7,10-16H2
• InChIKey: NCVINSHQIZNVCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]piperazine
• IUPAC Traditional name: 1-benzyl-4-[2-(2-cyclopropylimidazol-1-yl)ethyl]piperazine
• Synonyms: 1-benzyl-4-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0231451
• LogD (pH = 7.4): 1.4841537
• Log P: 2.5715501
• Molar Refractivity: 94.4312 cm^3
• Polarizability: 36.6104 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.25
• LOG S: -1.52
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6