ChemSpider 2D Image | TERT-BUTYL (3S)-3-{[(3-FLUOROPHENYL)METHYL]AMINO}PIPERIDINE-1-CARBOXYLATE | C17H25FN2O2

TERT-BUTYL (3S)-3-{[(3-FLUOROPHENYL)METHYL]AMINO}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC17H25FN2O2
  • Average mass308.391 Da
  • Monoisotopic mass308.190002 Da
  • ChemSpider ID26498790

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(3-Fluorobenzyl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1286207-88-2 [RN]
1-Piperidinecarboxylic acid, 3-[[(3-fluorophenyl)methyl]amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(3-fluorobenzyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(3-fluorbenzyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL (3S)-3-{[(3-FLUOROPHENYL)METHYL]AMINO}PIPERIDINE-1-CARBOXYLATE
(S)-tert-Butyl 3-((3-fluorobenzyl)amino)piperidine-1-carboxylate
(S)-tert-Butyl 3-[(3-fluorophenyl)methyl]aminolpiperidine-1-carboxylate
(S)-tert-Butyl 3-[(3-fluorophenyl)methyl]aminopiperidine-1-carboxylate
(S)-tert-Butyl 3-{[(3-fluorophenyl)methyl]amino}piperidine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 397.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.1±26.5 °C
    Index of Refraction: 1.532
    Molar Refractivity: 85.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.34
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 46.72
    ACD/KOC (pH 7.4): 369.46
    Polar Surface Area: 42 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 41.4±5.0 dyne/cm
    Molar Volume: 274.5±5.0 cm3

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