ChemSpider 2D Image | 2-(1-{6-(1-Isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2-piperidinyl)ethanol | C35H48N4O

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

  • Molecular FormulaC35H48N4O
  • Average mass540.782 Da
  • Monoisotopic mass540.382813 Da
  • ChemSpider ID121975194

More details:

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

2-(1-{6-(1-Isobutyl-6-methyl-3,4-dihydro-2(1H)-isochinolinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2-piperidinyl)ethanol [German] [ACD/IUPAC Name]
2-(1-{6-(1-Isobutyl-6-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-2-pipéridinyl)éthanol [French] [ACD/IUPAC Name]
2-(1-{6-(1-Isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2-piperidinyl)ethanol [ACD/IUPAC Name]
2-Piperidineethanol, 1-[6-[3,4-dihydro-6-methyl-1-(2-methylpropyl)-2(1H)-isoquinolinyl]-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: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 1551.08
ACD/KOC (pH 5.5): 1311.15
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 4191.04
ACD/KOC (pH 7.4): 3542.74
Polar Surface Area: 52 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 504.5±3.0 cm3

Click to predict properties on the Chemicalize site


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