ChemSpider 2D Image | 2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-(3-phenyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinyl}-2-piperidinyl)ethanol | C36H42N4O

2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-(3-phenyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinyl}-2-piperidinyl)ethanol

  • Molecular FormulaC36H42N4O
  • Average mass546.745 Da
  • Monoisotopic mass546.335876 Da
  • ChemSpider ID122010859

More details:

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

2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-(3-phenyl-3,4-dihydro-1(2H)-chinolinyl)-4-pyrimidinyl}-2-piperidinyl)ethanol [German] [ACD/IUPAC Name]
2-(1-{2-[4-(2-Méthyl-2-propanyl)phényl]-6-(3-phényl-3,4-dihydro-1(2H)-quinoléinyl)-4-pyrimidinyl}-2-pipéridinyl)éthanol [French] [ACD/IUPAC Name]
2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-(3-phenyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinyl}-2-piperidinyl)ethanol [ACD/IUPAC Name]
2-Piperidineethanol, 1-[6-(3,4-dihydro-3-phenyl-1(2H)-quinolinyl)-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 165.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 1296.02
ACD/KOC (pH 5.5): 1172.21
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 8986.89
ACD/KOC (pH 7.4): 8128.34
Polar Surface Area: 52 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 481.5±3.0 cm3

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