ChemSpider 2D Image | 1-(4-{6-(4-Benzyl-1-piperidinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone | C37H50N6O2

1-(4-{6-(4-Benzyl-1-piperidinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone

  • Molecular FormulaC37H50N6O2
  • Average mass610.832 Da
  • Monoisotopic mass610.399536 Da
  • ChemSpider ID121988867

More details:

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

1-(4-{6-(4-Benzyl-1-piperidinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{6-(4-Benzyl-1-piperidinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{6-(4-Benzyl-1-pipéridinyl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-1-pipérazinyl)-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-1-piperazinyl]-3-(4-morpholinyl)- [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: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.3±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 7.31
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 42.32
ACD/KOC (pH 7.4): 94.44
Polar Surface Area: 65 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 534.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement