ChemSpider 2D Image | 1-[2-({4-[3-(1-Azepanyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)ethyl]-2-piperidinone | C24H39N3O4

1-[2-({4-[3-(1-Azepanyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)ethyl]-2-piperidinone

  • Molecular FormulaC24H39N3O4
  • Average mass433.584 Da
  • Monoisotopic mass433.294067 Da
  • ChemSpider ID22162260

More details:

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

1-[2-({4-[3-(1-Azepanyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)ethyl]-2-piperidinon [German] [ACD/IUPAC Name]
1-[2-({4-[3-(1-Azepanyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)ethyl]-2-piperidinone [ACD/IUPAC Name]
1-[2-({4-[3-(1-Azépanyl)-2-hydroxypropoxy]-3-méthoxybenzyl}amino)éthyl]-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[2-[[[4-[3-(hexahydro-1H-azepin-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]amino]ethyl]- [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: 634.7±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: 337.7±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.55
Polar Surface Area: 74 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 387.8±3.0 cm3

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