ChemSpider 2D Image | 4-(4-{[Ethyl({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenyl)-3-butyn-1-ol | C28H38N2O2

4-(4-{[Ethyl({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenyl)-3-butyn-1-ol

  • Molecular FormulaC28H38N2O2
  • Average mass434.613 Da
  • Monoisotopic mass434.293335 Da
  • ChemSpider ID22138210

More details:






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

3-Butyn-1-ol, 4-[4-[[ethyl[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl]methyl]amino]methyl]phenyl]- [ACD/Index Name]
4-(4-{[Ethyl({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenyl)-3-butin-1-ol [German] [ACD/IUPAC Name]
4-(4-{[Ethyl({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenyl)-3-butyn-1-ol [ACD/IUPAC Name]
4-(4-{[Éthyl({1-[2-(3-méthoxyphényl)éthyl]-3-pipéridinyl}méthyl)amino]méthyl}phényl)-3-butyn-1-ol [French] [ACD/IUPAC Name]
4-(4-{[ETHYL({1-[2-(3-METHOXYPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL)AMINO]METHYL}PHENYL)BUT-3-YN-1-OL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 11.02
ACD/KOC (pH 7.4): 41.65
Polar Surface Area: 36 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

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