N-methyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}pyrazin-2-amine

• ChemBase ID: 510842
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: N1(CC(CN(c2nccnc2)C)CCC1)C(C)C
• Canonical SMILES: CC(N1CCCC(C1)CN(c1cnccn1)C)C
• InChI: InChI=1S/C14H24N4/c1-12(2)18-8-4-5-13(11-18)10-17(3)14-9-15-6-7-16-14/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3
• InChIKey: WQXIHYKEYZXZNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}pyrazin-2-amine
• IUPAC Traditional name: N-[(1-isopropylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
• Synonyms: N-[(1-isopropyl-3-piperidinyl)methyl]-N-methyl-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8172069
• LogD (pH = 7.4): -0.4630063
• Log P: 1.5427489
• Molar Refractivity: 75.824 cm^3
• Polarizability: 28.892056 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -2.2
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4