ChemSpider 2D Image | [(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-(4-morpholinylmethyl)-3-piperidinyl](1-piperidinyl)methanone | C25H39N3O4

[(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-(4-morpholinylmethyl)-3-piperidinyl](1-piperidinyl)methanone

  • Molecular FormulaC25H39N3O4
  • Average mass445.595 Da
  • Monoisotopic mass445.294067 Da
  • ChemSpider ID29656393

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-(4-morpholinylmethyl)-3-piperidinyl](1-piperidinyl)methanon [German] [ACD/IUPAC Name]
[(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-(4-morpholinylmethyl)-3-piperidinyl](1-piperidinyl)methanone [ACD/IUPAC Name]
[(3R,5S)-1-(3,4-Diméthoxybenzyl)-5-(4-morpholinylméthyl)-3-pipéridinyl](1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-(4-morpholinylmethyl)-3-piperidinyl]-1-piperidinyl- [ACD/Index Name]
4-{[(3S,5R)-1-(3,4-dimethoxybenzyl)-5-(1-piperidinylcarbonyl)-3-piperidinyl]methyl}morpholine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 40.42
Polar Surface Area: 54 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

Click to predict properties on the Chemicalize site


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