ChemSpider 2D Image | 2-Methyl-2-propanyl 2-{[({2-[4-(hydroxymethyl)-1-piperidinyl]ethyl}carbamoyl)amino]methyl}-1-piperidinecarboxylate | C20H38N4O4

2-Methyl-2-propanyl 2-{[({2-[4-(hydroxymethyl)-1-piperidinyl]ethyl}carbamoyl)amino]methyl}-1-piperidinecarboxylate

  • Molecular FormulaC20H38N4O4
  • Average mass398.540 Da
  • Monoisotopic mass398.289307 Da
  • ChemSpider ID30371413

More details:

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

1-Piperidinecarboxylic acid, 2-[[[[[2-[4-(hydroxymethyl)-1-piperidinyl]ethyl]amino]carbonyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[({2-[4-(Hydroxyméthyl)-1-pipéridinyl]éthyl}carbamoyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[({2-[4-(hydroxymethyl)-1-piperidinyl]ethyl}carbamoyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[({2-[4-(hydroxymethyl)-1-piperidinyl]ethyl}carbamoyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL 2-{[({2-[4-(HYDROXYMETHYL)PIPERIDIN-1-YL]ETHYL}CARBAMOYL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.1±23.2 °C
Index of Refraction: 1.509
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.16
Polar Surface Area: 94 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 362.1±3.0 cm3

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