ChemSpider 2D Image | TERT-BUTYL 3-{CYCLOPROPYL[(3-FLUOROPHENYL)METHYL]CARBAMOYL}PIPERIDINE-1-CARBOXYLATE | C21H29FN2O3

TERT-BUTYL 3-{CYCLOPROPYL[(3-FLUOROPHENYL)METHYL]CARBAMOYL}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID28539197

More details:

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

1277958-70-9 [RN]
1-Piperidinecarboxylic acid, 3-[[cyclopropyl[(3-fluorophenyl)methyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[cyclopropyl(3-fluorobenzyl)carbamoyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[cyclopropyl(3-fluorbenzyl)carbamoyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[Cyclopropyl(3-fluorobenzyl)carbamoyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-{CYCLOPROPYL[(3-FLUOROPHENYL)METHYL]CARBAMOYL}PIPERIDINE-1-CARBOXYLATE
3-[Cyclopropyl-(3-fluorobenzyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester
3-[Cyclopropyl-(3-fluoro-benzyl)-carbamoyl]-piperidine-1-carboxylic acid tert-butyl ester
3-[Cyclopropyl-(3-fluoro-benzyl)-carbamoyl]-piperidine-1-carboxylicacidtert-butylester
MFCD22631634 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 504.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.40
ACD/KOC (pH 5.5): 2001.67
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.40
ACD/KOC (pH 7.4): 2001.67
Polar Surface Area: 50 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

Click to predict properties on the Chemicalize site


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