ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperidinecarboxylate | C21H30N4O3

2-Methyl-2-propanyl 4-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperidinecarboxylate

  • Molecular FormulaC21H30N4O3
  • Average mass386.488 Da
  • Monoisotopic mass386.231781 Da
  • ChemSpider ID34499447

More details:

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

1-Piperidinecarboxylic acid, 4-[[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({3-[4-(Diméthylamino)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1986367-40-1 [RN]
BS-7108
MFCD28041373
tert-butyl 4-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.1±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.6±31.8 °C
Index of Refraction: 1.557
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 736.41
ACD/KOC (pH 5.5): 3925.08
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 736.61
ACD/KOC (pH 7.4): 3926.18
Polar Surface Area: 72 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

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