ChemSpider 2D Image | tert-Butyl 3-(2-amino-6-(2-(cyclopropylmethoxy)-6-(4-methoxybenzyloxy)phenyl)-3-(hydroxymethyl)pyridin-4-yl)piperidine-1-carboxylate | C34H43N3O6

tert-Butyl 3-(2-amino-6-(2-(cyclopropylmethoxy)-6-(4-methoxybenzyloxy)phenyl)-3-(hydroxymethyl)pyridin-4-yl)piperidine-1-carboxylate

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID11280743

More details:

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

1-Piperidinecarboxylic acid, 3-[2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-3-(hydroxymethyl)-4-pyridinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[2-amino-6-{2-(cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}-3-(hydroxymethyl)-4-pyridinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[2-amino-6-{2-(cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}-3-(hydroxymethyl)-4-pyridinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[2-Amino-6-{2-(cyclopropylméthoxy)-6-[(4-méthoxybenzyl)oxy]phényl}-3-(hydroxyméthyl)-4-pyridinyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
406212-99-5 [RN]
tert-Butyl 3-(2-amino-6-(2-(cyclopropylmethoxy)-6-(4-methoxybenzyloxy)phenyl)-3-(hydroxymethyl)pyridin-4-yl)piperidine-1-carboxylate
tert-butyl 3-(2-amino-6-(2-(cyclopropylmethoxy)-6-((4-methoxybenzyl)oxy)phenyl)-3-(hydroxymethyl)pyridin-4-yl)piperidine-1-carboxylate
TERT-BUTYL 3-{2-AMINO-6-[2-(CYCLOPROPYLMETHOXY)-6-[(4-METHOXYPHENYL)METHOXY]PHENYL]-3-(HYDROXYMETHYL)PYRIDIN-4-YL}PIPERIDINE-1-CARBOXYLATE
tert-butyl-3-(2-amino-6-(2-(cyclopropylmethoxy)-6-(4-methoxybenzyloxy)phenyl)-3-(hydroxymethyl)pyridin-4-yl)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: 712.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 883.56
ACD/KOC (pH 5.5): 3418.62
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2229.29
ACD/KOC (pH 7.4): 8625.44
Polar Surface Area: 116 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 485.5±3.0 cm3

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