ChemSpider 2D Image | (4-Isopropyl-1-piperazinyl)[(1R)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]methanone | C20H35N3O2

(4-Isopropyl-1-piperazinyl)[(1R)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]methanone

  • Molecular FormulaC20H35N3O2
  • Average mass349.511 Da
  • Monoisotopic mass349.272919 Da
  • ChemSpider ID31131024
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4-Isopropyl-1-piperazinyl)[(1R)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]methanon [German] [ACD/IUPAC Name]
(4-Isopropyl-1-piperazinyl)[(1R)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]methanone [ACD/IUPAC Name]
(4-Isopropyl-1-pipérazinyl)[(1R)-6-(tétrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1-methylethyl)-1-piperazinyl][(1R)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]oct-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.5±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 36 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 306.8±5.0 cm3

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