tert-Butyl (1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate
CAS No.:
1000053-23-5
M. Wt:
295.353
M. Fa:
C15H22FN3O2
InChI Key:
JDNYMHLVBPANAR-UHFFFAOYSA-N
Names and Identifiers of 1000053-23-5
CAS Number |
1000053-23-5 |
|---|---|
IUPAC Name |
tert-butyl N-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamate |
InChI |
InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)19-12-6-8-20(9-7-12)14-5-4-11(18)10-13(14)17/h4-5,10,12H,6-9,18H2,1-3H3,(H,19,21) |
InChIKey |
JDNYMHLVBPANAR-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2)N)F |
Physical and chemical properties of 1000053-23-5
Acidity coefficient |
12.25±0.20(Predicted) |
|---|---|
Boiling Point |
439.6±45.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
295.169617 |
Flash Point |
219.7±28.7 °C |
Index of Refraction |
1.555 |
LogP |
1.74 |
Melting Point |
110-113°C |
Molecular Formula |
C15H22FN3O2 |
Molecular Weight |
295.353 |
PSA |
58.80000 |
Vapour Pressure |
0.0±1.1 mmHg at 25°C |
Safety Information of 1000053-23-5
Applications of 1000053-23-5
This compound has potential applications in:
- Pharmaceutical Development: It may serve as a lead compound for developing new drugs targeting neurological disorders or cancer.
- Chemical Probes: Its unique structure allows it to act as a chemical probe for studying biological mechanisms involving nitrogen-containing compounds.
Interaction Studies of 1000053-23-5
Interaction studies involving tert-butyl (1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate could focus on:
- Receptor Binding Affinity: Evaluating how well this compound binds to specific receptors in the central nervous system or other biological targets.
- Metabolic Stability: Assessing how metabolic enzymes interact with the compound, which is crucial for understanding its pharmacokinetics and potential therapeutic effects.
Biological Activity of 1000053-23-5
- Antidepressant Activity: Compounds containing piperidine rings and amino groups are known to influence neurotransmitter systems, potentially acting as antidepressants.
- Anticancer Properties: The fluorinated aromatic moiety may enhance the compound's ability to interact with specific biological targets involved in cancer progression.
Further studies are required to elucidate the specific biological effects of this compound.
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