ChemSpider 2D Image | 2-{1-(1-Isopropyl-4-piperidinyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperazinyl}ethanol | C23H37N3O4

2-{1-(1-Isopropyl-4-piperidinyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperazinyl}ethanol

  • Molecular FormulaC23H37N3O4
  • Average mass419.558 Da
  • Monoisotopic mass419.278412 Da
  • ChemSpider ID22354611

More details:

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

2-{1-(1-Isopropyl-4-piperidinyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{1-(1-Isopropyl-4-piperidinyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{1-(1-Isopropyl-4-pipéridinyl)-4-[(7-méthoxy-1,3-benzodioxol-5-yl)méthyl]-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[1-(1-methylethyl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


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