2-[(5-ethylfuran-2-yl)methyl]-8-methyl-octahydro-1H-pyrazino[1,2-a]piperazine

• ChemBase ID: 465820
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: N12C(CN(Cc3oc(cc3)CC)CC1)CN(CC2)C
• Canonical SMILES: CCc1ccc(o1)CN1CCN2C(C1)CN(CC2)C
• InChI: InChI=1S/C15H25N3O/c1-3-14-4-5-15(19-14)12-17-7-9-18-8-6-16(2)10-13(18)11-17/h4-5,13H,3,6-12H2,1-2H3
• InChIKey: YATWVNYXCRJWIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-ethylfuran-2-yl)methyl]-8-methyl-octahydro-1H-pyrazino[1,2-a]piperazine
• IUPAC Traditional name: 2-[(5-ethylfuran-2-yl)methyl]-8-methyl-hexahydro-1H-pyrazino[1,2-a]piperazine
• Synonyms: 2-[(5-ethyl-2-furyl)methyl]-8-methyloctahydro-2H-pyrazino[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6313708
• LogD (pH = 7.4): -0.16577569
• Log P: 1.4509791
• Molar Refractivity: 78.4357 cm^3
• Polarizability: 30.495062 Å^3
• Polar Surface Area: 22.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.62
• LOG S: -0.64
• Polar Surface Area: 22.86 Å^2
• Rotatable Bonds: 3