structure of 3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline

3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline

CAS No.: 1000053-56-4
M. Wt: 238.30100
M. Fa: C13H19FN2O
InChI Key: XWUDBNUMHWTNPW-UHFFFAOYSA-N

Names and Identifiers of 1000053-56-4

CAS Number

1000053-56-4

MDL Number

MFCD17014177

IUPAC Name

3-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline

InChI

InChI=1S/C13H19FN2O/c1-16-6-4-10(5-7-16)9-17-13-3-2-11(15)8-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3

InChIKey

XWUDBNUMHWTNPW-UHFFFAOYSA-N

Canonical SMILES

CN1CCC(CC1)COC2=C(C=C(C=C2)N)F

UNSPSC Code

12352100

Physical and chemical properties of 1000053-56-4

Exact Mass

238.14800

LogP

2.64760

Molecular Formula

C13H19FN2O

Molecular Weight

238.30100

PSA

38.49000

Safety Information of 1000053-56-4

Pictograms

Signal Word

 Warning

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

Applications of 1000053-56-4

3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline has several applications across various fields:

  • Medicinal Chemistry: It serves as a building block in the synthesis of pharmaceutical compounds, particularly those targeting neurological disorders.
  • Material Science: The compound is utilized in developing novel materials with specific electronic or optical properties.
  • Biological Studies: It functions as a probe in biochemical assays for studying enzyme interactions and receptor binding.
  • Industrial

Interaction Studies of 1000053-56-4

Interaction studies focus on the binding affinity of 3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline towards specific biological targets. These studies are essential for understanding its therapeutic potential and mechanisms of action. The ability of this compound to mimic natural ligands facilitates effective interactions with enzymes and receptors, which is crucial for its applications in drug development.

Similar Compounds: Comparison

Several compounds share structural similarities with 3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline. Here are notable examples:

Compound NameMolecular FormulaKey Characteristics
3-FluoroanilineC7H6FNBase structure; lacks piperidine moiety
2-(4-Methylpiperidin-1-yl)anilineC12H18N2Lacks fluorine; primarily used in similar applications
5-Fluoro-2-[(1-methylpiperidin-4-yl)methoxy]anilineC13H19FN2ODifferent fluorine position; similar piperidine structure
4-(Cyclobutylmethoxy)-3,5-difluoroanilineC13H16F2N2OContains multiple fluorines; different biological properties

Biological Activity of 1000053-56-4

Research indicates that 3-Fluoro-4-[(1-methylpiperidin-4-yl)methoxy]aniline exhibits significant biological activity, particularly as an enzyme inhibitor and receptor modulator. The structural similarities to various bioactive molecules allow it to effectively mimic natural ligands, enhancing its binding affinity to specific biological targets. This property is crucial for its potential therapeutic applications, particularly in treating neurological disorders.

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