ChemSpider 2D Image | 4-(4-{[Ethyl({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenyl)-2-methyl-3-butyn-2-ol | C28H37FN2O

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

  • Molecular FormulaC28H37FN2O
  • Average mass436.605 Da
  • Monoisotopic mass436.289001 Da
  • ChemSpider ID22150193

More details:

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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 46.58
ACD/KOC (pH 7.4): 121.95
Polar Surface Area: 27 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

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