ChemSpider 2D Image | 1-[5-({[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amino}methyl)-2-methoxyphenoxy]-3-(1-piperidinyl)-2-propanol | C23H36N4O3

1-[5-({[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amino}methyl)-2-methoxyphenoxy]-3-(1-piperidinyl)-2-propanol

  • Molecular FormulaC23H36N4O3
  • Average mass416.557 Da
  • Monoisotopic mass416.278748 Da
  • ChemSpider ID22172269

More details:

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

1-[5-({[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amino}methyl)-2-methoxyphenoxy]-3-(1-piperidinyl)-2-propanol [ACD/IUPAC Name]
1-[5-({[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amino}methyl)-2-methoxyphenoxy]-3-(1-piperidinyl)-2-propanol [German] [ACD/IUPAC Name]
1-[5-({[2-(3,5-Diméthyl-1H-pyrazol-4-yl)éthyl]amino}méthyl)-2-méthoxyphénoxy]-3-(1-pipéridinyl)-2-propanol [French] [ACD/IUPAC Name]
1-Piperidineethanol, α-[[5-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino]methyl]-2-methoxyphenoxy]methyl]- [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: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 83 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

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