N-[(1-benzylpiperidin-4-yl)methyl]-N-methylpyrazin-2-amine

• ChemBase ID: 473460
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: N(c1nccnc1)(CC1CCN(Cc2ccccc2)CC1)C
• Canonical SMILES: CN(c1cnccn1)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C18H24N4/c1-21(18-13-19-9-10-20-18)14-17-7-11-22(12-8-17)15-16-5-3-2-4-6-16/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3
• InChIKey: ZGNSEXZSAGGEQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-4-yl)methyl]-N-methylpyrazin-2-amine
• IUPAC Traditional name: N-[(1-benzylpiperidin-4-yl)methyl]-N-methylpyrazin-2-amine
• Synonyms: N-[(1-benzyl-4-piperidinyl)methyl]-N-methyl-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8221475
• LogD (pH = 7.4): 0.6884006
• Log P: 2.4522824
• Molar Refractivity: 91.368 cm^3
• Polarizability: 34.8185 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.15
• LOG S: -3.04
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5