ChemSpider 2D Image | 3-{1-[4-(4-Hydroxyphenyl)-2-butanyl]-4-piperidinyl}-1-(4-phenyl-1-piperazinyl)-1-propanone | C28H39N3O2

3-{1-[4-(4-Hydroxyphenyl)-2-butanyl]-4-piperidinyl}-1-(4-phenyl-1-piperazinyl)-1-propanone

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID23053294

More details:

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

1-Propanone, 3-[1-[3-(4-hydroxyphenyl)-1-methylpropyl]-4-piperidinyl]-1-(4-phenyl-1-piperazinyl)- [ACD/Index Name]
3-{1-[4-(4-Hydroxyphenyl)-2-butanyl]-4-piperidinyl}-1-(4-phenyl-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
3-{1-[4-(4-Hydroxyphenyl)-2-butanyl]-4-piperidinyl}-1-(4-phenyl-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
3-{1-[4-(4-Hydroxyphényl)-2-butanyl]-4-pipéridinyl}-1-(4-phényl-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]
3-{1-[4-(4-HYDROXYPHENYL)BUTAN-2-YL]PIPERIDIN-4-YL}-1-(4-PHENYLPIPERAZIN-1-YL)PROPAN-1-ONE
4-(3-{4-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-piperidinyl}butyl)phenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 12.14
Polar Surface Area: 47 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

Click to predict properties on the Chemicalize site


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