ChemSpider 2D Image | 2-{(3R,4S)-3-[(5-{[Benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-4-piperidinyl}-1-(4-benzyl-1-piperidinyl)ethanone | C32H42N4O2

2-{(3R,4S)-3-[(5-{[Benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-4-piperidinyl}-1-(4-benzyl-1-piperidinyl)ethanone

  • Molecular FormulaC32H42N4O2
  • Average mass514.701 Da
  • Monoisotopic mass514.330750 Da
  • ChemSpider ID21384927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(3R,4S)-3-[(5-{[Benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-4-piperidinyl}-1-(4-benzyl-1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-{(3R,4S)-3-[(5-{[Benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-4-piperidinyl}-1-(4-benzyl-1-piperidinyl)ethanone [ACD/IUPAC Name]
2-{(3R,4S)-3-[(5-{[Benzyl(méthyl)amino]méthyl}-1,2-oxazol-3-yl)méthyl]-4-pipéridinyl}-1-(4-benzyl-1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(3R,4S)-3-[[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]methyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]- [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: 668.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 9.00
ACD/KOC (pH 7.4): 31.07
Polar Surface Area: 62 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

Click to predict properties on the Chemicalize site


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