ChemSpider 2D Image | 4-[4-(2-{1-[4-(1H-Pyrazol-1-yl)benzoyl]-2-piperidinyl}ethoxy)benzyl]-1-piperazinecarbaldehyde | C29H35N5O3

4-[4-(2-{1-[4-(1H-Pyrazol-1-yl)benzoyl]-2-piperidinyl}ethoxy)benzyl]-1-piperazinecarbaldehyde

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID22159555

More details:

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

1-Piperazinecarboxaldehyde, 4-[[4-[2-[1-[4-(1H-pyrazol-1-yl)benzoyl]-2-piperidinyl]ethoxy]phenyl]methyl]- [ACD/Index Name]
4-[4-(2-{1-[4-(1H-Pyrazol-1-yl)benzoyl]-2-piperidinyl}ethoxy)benzyl]-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
4-[4-(2-{1-[4-(1H-Pyrazol-1-yl)benzoyl]-2-piperidinyl}ethoxy)benzyl]-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-[4-(2-{1-[4-(1H-Pyrazol-1-yl)benzoyl]-2-pipéridinyl}éthoxy)benzyl]-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
4-{[4-(2-{1-[4-(1H-PYRAZOL-1-YL)BENZOYL]PIPERIDIN-2-YL}ETHOXY)PHENYL]METHYL}PIPERAZINE-1-CARBALDEHYDE
4-{[4-(2-{1-[4-(PYRAZOL-1-YL)BENZOYL]PIPERIDIN-2-YL}ETHOXY)PHENYL]METHYL}PIPERAZINE-1-CARBALDEHYDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 12.64
ACD/KOC (pH 5.5): 121.21
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 86.33
ACD/KOC (pH 7.4): 827.82
Polar Surface Area: 71 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 405.2±7.0 cm3

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