1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

• ChemBase ID: 416757
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: c1(n(ccn1)C)CN1CCN(C2Cc3c(CC2)cccc3)CC1
• Canonical SMILES: Cn1ccnc1CN1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C19H26N4/c1-21-9-8-20-19(21)15-22-10-12-23(13-11-22)18-7-6-16-4-2-3-5-17(16)14-18/h2-5,8-9,18H,6-7,10-15H2,1H3
• InChIKey: HKAFPSUUJVECCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC Traditional name: 1-[(1-methylimidazol-2-yl)methyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• Synonyms: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1,2,3,4-tetrahydro-2-naphthalenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.90506476
• LogD (pH = 7.4): 1.2123325
• Log P: 2.4974933
• Molar Refractivity: 94.7777 cm^3
• Polarizability: 36.53171 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.09
• LOG S: -2.24
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 3