N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine

• ChemBase ID: 357236
• Molecular Formular: C18H25N5
• Molecular Mass: 311.4246
• Monoisotopic Mass: 311.21099583
• SMILES: c1(N2CCC(N(Cc3ncc(cc3)CC)C)CC2)ncccn1
• Canonical SMILES: CCc1ccc(nc1)CN(C1CCN(CC1)c1ncccn1)C
• InChI: InChI=1S/C18H25N5/c1-3-15-5-6-16(21-13-15)14-22(2)17-7-11-23(12-8-17)18-19-9-4-10-20-18/h4-6,9-10,13,17H,3,7-8,11-12,14H2,1-2H3
• InChIKey: IRNWYLMCQONLAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine
• Synonyms: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.18646953
• LogD (pH = 7.4): 1.5878301
• Log P: 2.409634
• Molar Refractivity: 94.1237 cm^3
• Polarizability: 35.670956 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -1.57
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5