structure of 4-[(2-fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine

4-[(2-fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine

CAS No.: 1000052-54-9
M. Wt: 268.28400
M. Fa: C13H17FN2O3
InChI Key: BOYOEFJCLPBOGI-UHFFFAOYSA-N

Names and Identifiers of 1000052-54-9

CAS Number

1000052-54-9

MDL Number

MFCD17014124

IUPAC Name

4-[(2-fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine

InChI

InChI=1S/C13H17FN2O3/c1-15-6-4-10(5-7-15)9-19-13-3-2-11(16(17)18)8-12(13)14/h2-3,8,10H,4-7,9H2,1H3

InChIKey

BOYOEFJCLPBOGI-UHFFFAOYSA-N

Canonical SMILES

CN1CCC(COC2=CC=C([N+](=O)[O-])C=C2F)CC1

UNSPSC Code

12352100

Physical and chemical properties of 1000052-54-9

Exact Mass

268.12200

LogP

2.91560

Molecular Formula

C13H17FN2O3

Molecular Weight

268.28400

PSA

58.29000

Safety Information of 1000052-54-9

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000052-54-9

4-[(2-Fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine has diverse applications across various fields:

  • Chemistry: Serves as a building block in synthesizing more complex molecules.
  • Biology: Utilized in studying biological pathways and mechanisms.
  • Medicine: Investigated for potential therapeutic applications, especially in drug development.
  • Industry: Employed in producing various chemical intermediates and specialty chemicals.

Interaction Studies of 1000052-54-9

Research into the interaction studies of 4-[(2-Fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine reveals its role as a substrate for P-glycoprotein, indicating its potential influence on drug absorption and distribution in biological systems. Its interactions with cytochrome P450 enzymes suggest that it could affect the metabolism of co-administered drugs, necessitating further investigation into its pharmacokinetic properties.

Biological Activity of 1000052-54-9

The biological activity of 4-[(2-Fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine is primarily associated with its potential interactions with specific molecular targets, such as enzymes and receptors. These interactions can modulate biological pathways, which makes this compound a candidate for various therapeutic applications. Its ability to act as an inhibitor for certain cytochrome P450 enzymes, such as CYP1A2 and CYP3A4, indicates its relevance in pharmacology, particularly in drug metabolism studies.