![structure of tert-Butyl 4-[(2-fluoro-4-nitrophenoxy)methyl]piperidine-1-carboxylate](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/97/1000051-97-7.svg)
tert-Butyl 4-[(2-fluoro-4-nitrophenoxy)methyl]piperidine-1-carboxylate
Names and Identifiers of 1000051-97-7
CAS Number |
1000051-97-7 |
|---|---|
MDL Number |
MFCD17014211 |
IUPAC Name |
tert-butyl 4-[(2-fluoro-4-nitrophenoxy)methyl]piperidine-1-carboxylate |
InChI |
InChI=1S/C17H23FN2O5/c1-17(2,3)25-16(21)19-8-6-12(7-9-19)11-24-15-5-4-13(20(22)23)10-14(15)18/h4-5,10,12H,6-9,11H2,1-3H3 |
InChIKey |
MFHJIVQILMLHIJ-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(COC2=CC=C([N+](=O)[O-])C=C2F)CC1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000051-97-7
Exact Mass |
354.15900 |
|---|---|
LogP |
4.22090 |
Molecular Formula |
C17H23FN2O5 |
Molecular Weight |
354.37300 |
PSA |
84.59000 |
Safety Information of 1000051-97-7
Applications of 1000051-97-7
tert-Butyl 4-((2-fluoro-4-nitrophenoxy)methyl)piperidine-1-carboxylate may find applications in medicinal chemistry as a lead compound for developing new pharmaceuticals, particularly those targeting neurological disorders or as potential enzyme inhibitors. Additionally, due to its unique chemical structure, it could serve as a building block in the synthesis of more complex organic molecules in research settings.
Interaction Studies of 1000051-97-7
Interaction studies involving tert-butyl 4-((2-fluoro-4-nitrophenoxy)methyl)piperidine-1-carboxylate are necessary to understand its binding affinities and mechanisms of action at biological targets. Preliminary studies suggest that compounds with similar structures may interact with neurotransmitter receptors or enzymes involved in metabolic pathways. Further research utilizing techniques such as molecular docking and in vitro assays would provide insights into its interactions at a molecular level.