ChemSpider 2D Image | [(2S)-2-Isopropyl-4-methyl-1-piperazinyl](4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}phenyl)methanone | C28H39N3O2

[(2S)-2-Isopropyl-4-methyl-1-piperazinyl](4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}phenyl)methanone

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID22866717

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-Isopropyl-4-methyl-1-piperazinyl](4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}phenyl)methanon [German] [ACD/IUPAC Name]
[(2S)-2-Isopropyl-4-methyl-1-piperazinyl](4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}phenyl)methanone [ACD/IUPAC Name]
[(2S)-2-Isopropyl-4-méthyl-1-pipérazinyl](4-{[1-(2-phényléthyl)-4-pipéridinyl]oxy}phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(2S)-4-methyl-2-(1-methylethyl)-1-piperazinyl][4-[[1-(2-phenylethyl)-4-piperidinyl]oxy]phenyl]- [ACD/Index Name]
(2S)-2-isopropyl-4-methyl-1-(4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzoyl)piperazine
(2S)-2-ISOPROPYL-4-METHYL-1-(4-{[1-(2-PHENYLETHYL)PIPERIDIN-4-YL]OXY}BENZOYL)PIPERAZINE
(2S)-4-METHYL-1-(4-{[1-(2-PHENYLETHYL)PIPERIDIN-4-YL]OXY}BENZOYL)-2-(PROPAN-2-YL)PIPERAZINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 103.44
ACD/KOC (pH 7.4): 507.03
Polar Surface Area: 36 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 413.5±3.0 cm3

Click to predict properties on the Chemicalize site


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