ChemSpider 2D Image | {3-[9-(1-{4-[3-(Dimethylamino)propoxy]benzyl}-4-piperidinyl)-6-(4-morpholinyl)-9H-purin-2-yl]phenyl}methanol | C33H43N7O3

{3-[9-(1-{4-[3-(Dimethylamino)propoxy]benzyl}-4-piperidinyl)-6-(4-morpholinyl)-9H-purin-2-yl]phenyl}methanol

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID24653054

More details:

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

{3-[9-(1-{4-[3-(Dimethylamino)propoxy]benzyl}-4-piperidinyl)-6-(4-morpholinyl)-9H-purin-2-yl]phenyl}methanol [German] [ACD/IUPAC Name]
{3-[9-(1-{4-[3-(Dimethylamino)propoxy]benzyl}-4-piperidinyl)-6-(4-morpholinyl)-9H-purin-2-yl]phenyl}methanol [ACD/IUPAC Name]
{3-[9-(1-{4-[3-(Diméthylamino)propoxy]benzyl}-4-pipéridinyl)-6-(4-morpholinyl)-9H-purin-2-yl]phényl}méthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-[9-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-4-piperidinyl]-6-(4-morpholinyl)-9H-purin-2-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.5±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 92 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 457.5±7.0 cm3

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