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

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

  • Molecular FormulaC32H42N4O2
  • Average mass514.701 Da
  • Monoisotopic mass514.330750 Da
  • ChemSpider ID21385036

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-({5-[4-(2-methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-({5-[4-(2-methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]ethanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-2-[(3R,4S)-3-({5-[4-(2-méthyl-2-propanyl)phényl]-1,2-oxazol-3-yl}méthyl)-4-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(3R,4S)-3-[[5-[4-(1,1-dimethylethyl)phenyl]-3-isoxazolyl]methyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]- [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: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 7.66
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 29.40
ACD/KOC (pH 7.4): 76.19
Polar Surface Area: 62 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

Click to predict properties on the Chemicalize site


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