ChemSpider 2D Image | 1-{1-[6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl}-4-phenyl-1-butanone | C36H42N6O

1-{1-[6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl}-4-phenyl-1-butanone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121601323

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{1-[6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl}-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-{1-[6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl}-4-phenyl-1-butanone [ACD/IUPAC Name]
1-{1-[6-{[4-(4-Méthyl-1-pipéridinyl)phényl]amino}-2-(3-pyridinyl)-4-pyrimidinyl]-3-pipéridinyl}-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-[6-[[4-(4-methyl-1-piperidinyl)phenyl]amino]-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl]-4-phenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1835.82
ACD/KOC (pH 5.5): 3631.08
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21557.44
ACD/KOC (pH 7.4): 42638.58
Polar Surface Area: 74 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 489.9±3.0 cm3

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