ChemSpider 2D Image | 3-[(3S,4R)-4-(Dimethylamino)-1-(2,2-diphenylethyl)-3-piperidinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone | C35H46N4O2

3-[(3S,4R)-4-(Dimethylamino)-1-(2,2-diphenylethyl)-3-piperidinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC35H46N4O2
  • Average mass554.765 Da
  • Monoisotopic mass554.362061 Da
  • ChemSpider ID23038322

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanone, 3-[(3S,4R)-4-(dimethylamino)-1-(2,2-diphenylethyl)-3-piperidinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]- [ACD/Index Name]
3-[(3S,4R)-4-(Dimethylamino)-1-(2,2-diphenylethyl)-3-piperidinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[(3S,4R)-4-(Dimethylamino)-1-(2,2-diphenylethyl)-3-piperidinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-[(3S,4R)-4-(Diméthylamino)-1-(2,2-diphényléthyl)-3-pipéridinyl]-1-[4-(2-méthoxyphényl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
(3S*,4R*)-1-(2,2-diphenylethyl)-3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-N,N-dimethyl-4-piperidinamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 72.27
ACD/KOC (pH 7.4): 206.36
Polar Surface Area: 39 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 476.9±5.0 cm3

Click to predict properties on the Chemicalize site


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