ChemSpider 2D Image | [4-(2-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}ethyl)-1-piperazinyl](1,3-dimethyl-1H-pyrazol-5-yl)methanone | C31H41N5O2

[4-(2-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}ethyl)-1-piperazinyl](1,3-dimethyl-1H-pyrazol-5-yl)methanone

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID22206582

More details:

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

[4-(2-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}ethyl)-1-piperazinyl](1,3-dimethyl-1H-pyrazol-5-yl)methanon [German] [ACD/IUPAC Name]
[4-(2-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}ethyl)-1-piperazinyl](1,3-dimethyl-1H-pyrazol-5-yl)methanone [ACD/IUPAC Name]
[4-(2-{4-[(4-Benzyl-1-pipéridinyl)méthyl]phénoxy}éthyl)-1-pipérazinyl](1,3-diméthyl-1H-pyrazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (1,3-dimethyl-1H-pyrazol-5-yl)[4-[2-[4-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenoxy]ethyl]-1-piperazinyl]- [ACD/Index Name]
1-(2-{4-[(4-benzyl-1-piperidinyl)methyl]phenoxy}ethyl)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 12.21
ACD/KOC (pH 7.4): 63.37
Polar Surface Area: 54 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 438.3±7.0 cm3

Click to predict properties on the Chemicalize site


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