N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 530238
• Molecular Formular: C18H34N4
• Molecular Mass: 306.48936
• Monoisotopic Mass: 306.27834711
• SMILES: n1[nH]c(c(c1C)CCCN(C1CC(NC(C1)(C)C)(C)C)C)C
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)CCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C18H34N4/c1-13-16(14(2)20-19-13)9-8-10-22(7)15-11-17(3,4)21-18(5,6)12-15/h15,21H,8-12H2,1-7H3,(H,19,20)
• InChIKey: GJKIEYRCPCENGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.410479
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6840448
• LogD (pH = 7.4): -1.6756651
• Log P: 2.3210495
• Molar Refractivity: 95.6557 cm^3
• Polarizability: 36.866528 Å^3
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.02
• LOG S: -3.86
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 5