Cas no 752170-00-6 (O-(1-methylpiperidin-4-yl)hydroxylamine)

O-(1-Methylpiperidin-4-yl)hydroxylamine is a versatile intermediate in organic synthesis, particularly valued for its role in the formation of hydroxylamine derivatives and heterocyclic compounds. Its piperidine scaffold and hydroxylamine functionality make it useful for constructing pharmacologically active molecules, including potential drug candidates. The compound’s stability and reactivity under controlled conditions enable efficient functionalization, aiding in the development of novel chemical entities. It is often employed in medicinal chemistry for modifying molecular structures to enhance binding affinity or metabolic properties. Suitable for research and industrial applications, this compound is handled under standard laboratory conditions with appropriate safety measures.
O-(1-methylpiperidin-4-yl)hydroxylamine structure
752170-00-6 structure
Product Name:O-(1-methylpiperidin-4-yl)hydroxylamine
CAS No:752170-00-6
MF:C6H14N2O
MW:130.188161373138
MDL:MFCD09951933
CID:561664
PubChem ID:15712603
Update Time:2025-10-24

O-(1-methylpiperidin-4-yl)hydroxylamine Chemical and Physical Properties

Names and Identifiers

    • Hydroxylamine,O-(1-methyl-4-piperidinyl)-
    • Piperidine,4-(aminooxy)-1-methyl- (9CI)
    • O-(1-methylpiperidin-4-yl)hydroxylamine
    • 4-(aminooxy)-1-methylpiperidine
    • BHUUSKYOCPUWDR-UHFFFAOYSA-N
    • EN300-203994
    • 752170-00-6
    • SCHEMBL2566320
    • AKOS006313808
    • MDL: MFCD09951933
    • Inchi: 1S/C6H14N2O/c1-8-4-2-6(9-7)3-5-8/h6H,2-5,7H2,1H3
    • InChI Key: BHUUSKYOCPUWDR-UHFFFAOYSA-N
    • SMILES: O(C1CCN(C)CC1)N

Computed Properties

  • Exact Mass: 130.11072
  • Monoisotopic Mass: 130.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 79.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 38.5?2

Experimental Properties

  • PSA: 38.49

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Additional information on O-(1-methylpiperidin-4-yl)hydroxylamine

Professional Introduction to O-(1-methylpiperidin-4-yl)hydroxylamine (CAS No. 752170-00-6)

O-(1-methylpiperidin-4-yl)hydroxylamine, a compound with the chemical formula C?H??NO?, is a significant molecule in the field of pharmaceutical chemistry and bioorganic synthesis. This compound is characterized by its structural motif, which includes a piperidine ring substituted with a methyl group at the 1-position and an hydroxylamine moiety at the 4-position. The presence of these functional groups makes it a versatile intermediate in the synthesis of various pharmacologically active agents.

The CAS number 752170-00-6 uniquely identifies this compound in scientific literature and databases, facilitating its recognition and utilization in research and industrial applications. The piperidine scaffold is particularly noteworthy, as it is commonly found in biologically active molecules, including drugs that target neurological and cardiovascular systems. The substitution pattern of this compound, specifically the methyl group at the 1-position and the hydroxylamine group at the 4-position, imparts unique electronic and steric properties that influence its reactivity and potential biological activity.

In recent years, there has been growing interest in the development of novel therapeutic agents derived from piperidine derivatives. The hydroxylamine group in O-(1-methylpiperidin-4-yl)hydroxylamine is particularly significant, as it can participate in various chemical transformations that are useful in drug synthesis. For instance, hydroxylamine derivatives are often employed as nucleophiles in condensation reactions or as intermediates in the formation of more complex heterocyclic structures.

One of the most compelling aspects of O-(1-methylpiperidin-4-yl)hydroxylamine is its potential application in medicinal chemistry. Researchers have been exploring its utility as a building block for more sophisticated molecules with therapeutic potential. The combination of the piperidine ring and the hydroxylamine group creates a framework that can be modified to target specific biological pathways. For example, modifications at the nitrogen atoms of the piperidine ring can enhance binding affinity to biological targets, while functionalization of the hydroxylamine group can introduce further reactivity for downstream chemical transformations.

The synthesis of O-(1-methylpiperidin-4-yl)hydroxylamine involves multi-step organic reactions that highlight its complexity and synthetic value. Typically, it begins with the preparation of 1-methylpiperidine-4-carbaldehyde or a similar precursor, which undergoes condensation with hydroxylamine derivatives under controlled conditions. The resulting product can then be further functionalized to produce more complex pharmacophores. These synthetic strategies are crucial for developing new drugs and understanding reaction mechanisms in medicinal chemistry.

Recent advancements in computational chemistry have also contributed to the study of O-(1-methylpiperidin-4-yl)hydroxylamine. Molecular modeling techniques allow researchers to predict the behavior of this compound in various chemical environments, providing insights into its reactivity and potential interactions with biological targets. These computational studies complement experimental approaches by offering a virtual laboratory where hypotheses can be tested before costly wet chemistry experiments are conducted.

The pharmaceutical industry has shown particular interest in developing drugs that target neurological disorders, such as Alzheimer's disease and Parkinson's disease. Piperidine derivatives have been extensively studied for their potential to interact with neurotransmitter receptors and enzymes involved in these conditions. O-(1-methylpiperidin-4-yl)hydroxylamine, with its unique structural features, could serve as a valuable scaffold for designing new therapeutic agents that modulate these pathways.

In conclusion, O-(1-methylpiperidin-4-yl)hydroxylamine (CAS No. 752170-00-6) is a compound of considerable interest in pharmaceutical chemistry. Its structural features make it a versatile intermediate for synthesizing biologically active molecules, particularly those targeting neurological disorders. The combination of computational studies and traditional synthetic methodologies continues to expand our understanding of this compound's potential applications. As research progresses, O-(1-methylpiperidin-4-yl)hydroxylamine is likely to play an increasingly important role in the development of novel therapeutic agents.

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