ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate | C16H28N2O4

2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate

  • Molecular FormulaC16H28N2O4
  • Average mass312.405 Da
  • Monoisotopic mass312.204895 Da
  • ChemSpider ID28426664
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperidinecarboxylic acid, 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(2S)-2-(Méthoxycarbonyl)-1-pyrrolidinyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-1-N-Boc-4-[2-(methoxycarbonyl)pyrrolidin-1-yl]piperidine
(S)-tert-butyl 4-(2-(methoxycarbonyl)pyrrolidin-1-yl)piperidine-1-carboxylate
864291-82-7 [RN]
MFCD20486735
tert-butyl (S)-4-(2-(methoxycarbonyl)pyrrolidin-1-yl)piperidine-1-carboxylate
TERT-BUTYL 4-[(2S)-2-(METHOXYCARBONYL)PYRROLIDIN-1-YL]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 388.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.510
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 154.92
Polar Surface Area: 59 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement