ChemSpider 2D Image | 3-{(3S,4R)-1-Benzyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone | C30H42N4O2

3-{(3S,4R)-1-Benzyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC30H42N4O2
  • Average mass490.680 Da
  • Monoisotopic mass490.330780 Da
  • ChemSpider ID22863136

  • 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-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(phenylmethyl)-3-piperidinyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
3-{(3S,4R)-1-Benzyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
3-{(3S,4R)-1-Benzyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
3-{(3S,4R)-1-Benzyl-4-[4-(2-méthoxyphényl)-1-pipérazinyl]-3-pipéridinyl}-1-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-{(3S*,4R*)-1-benzyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-4-piperidinyl}-4-(2-methoxyphenyl)piperazine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 26.26
ACD/KOC (pH 7.4): 155.68
Polar Surface Area: 39 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 429.8±3.0 cm3

Click to predict properties on the Chemicalize site


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