structure of 1-[(5-BROMO-2-METHYL-4-METHYLSULFONYL)PHENYL]-PIPERIDINE-3-CARBOXYLIC ACID

1-[(5-BROMO-2-METHYL-4-METHYLSULFONYL)PHENYL]-PIPERIDINE-3-CARBOXYLIC ACID

CAS No.: 1000018-36-9
M. Wt: 376.27
M. Fa: C14H18BrNO4S
InChI Key: QDVUIDMVPCVVGN-UHFFFAOYSA-N

Names and Identifiers of 1000018-36-9

CAS Number

1000018-36-9

MDL Number

MFCD09264561

IUPAC Name

1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid

InChI

InChI=1S/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)

InChIKey

QDVUIDMVPCVVGN-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(S(C)(=O)=O)=C(Br)C=C1N1CCCC(C(=O)O)C1

UNSPSC Code

12352100

Physical and chemical properties of 1000018-36-9

Boiling Point

607.1±55.0 °C(Predicted)

Density

1.516±0.06 g/cm3(Predicted)

Molecular Formula

C14H18BrNO4S

Molecular Weight

376.27

Safety Information of 1000018-36-9

Pictograms

Signal Word

 Warning

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

Applications of 1000018-36-9

1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid has several potential applications:

  • Pharmaceutical Research: It may serve as a lead compound in drug discovery programs aimed at developing new therapeutics.
  • Chemical Biology: Useful in probing biological pathways due to its structural features that may interact with biological targets.
  • Material Science: Potential applications in creating novel materials or polymers due to its unique chemical properties.

Interaction Studies of 1000018-36-9

Interaction studies involving 1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid are crucial for understanding its mechanism of action and potential therapeutic effects. These studies may include:

  • Binding Affinity Assessments: Evaluating how well this compound binds to specific receptors or enzymes.
  • In Vivo Studies: Assessing its pharmacokinetics and pharmacodynamics in biological systems.
  • Toxicity Profiling: Understanding any adverse effects associated with its use.

Such studies help identify safe dosage ranges and therapeutic windows for potential clinical applications.