Cas no 1131587-36-4 (Methyl 5-iodo-2-(piperazin-1-yl)benzoate)

Methyl 5-iodo-2-(piperazin-1-yl)benzoate is a benzoate ester derivative featuring both an iodine substituent and a piperazine moiety, making it a versatile intermediate in organic synthesis and pharmaceutical research. The iodine atom provides a reactive site for further functionalization via cross-coupling reactions, while the piperazine group enhances solubility and offers potential for derivatization. This compound is particularly useful in the development of biologically active molecules, such as receptor ligands or enzyme inhibitors, due to its structural flexibility. Its well-defined reactivity and stability under standard conditions make it a reliable building block for medicinal chemistry and drug discovery applications.
Methyl 5-iodo-2-(piperazin-1-yl)benzoate structure
1131587-36-4 structure
Product Name:Methyl 5-iodo-2-(piperazin-1-yl)benzoate
CAS No:1131587-36-4
MF:C12H15IN2O2
MW:346.164175271988
MDL:MFCD11110750
CID:1030690
PubChem ID:44828952
Update Time:2025-06-07

Methyl 5-iodo-2-(piperazin-1-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-iodo-2-(piperazin-1-yl)benzoate
    • methyl 5-iodo-2-piperazin-1-ylbenzoate
    • A802752
    • AK133663
    • CTK8E2011
    • FT-0653193
    • KB-145663
    • methyl 5-iodanyl-2-piperazin-1-yl-benzoate
    • SBB068066
    • AKOS015852307
    • methyl 5-iodo-2-piperazin-1-yl-benzoate
    • 1131587-36-4
    • Methyl5-iodo-2-(piperazin-1-yl)benzoate
    • DTXSID00661039
    • DB-060290
    • 5-iodo-2-(1-piperazinyl)benzoic acid methyl ester
    • MDL： MFCD11110750
    • Inchi： 1S/C12H15IN2O2/c1-17-12(16)10-8-9(13)2-3-11(10)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
    • InChI Key： KRKLJAJCXHXRGF-UHFFFAOYSA-N
    • SMILES： IC1C=CC(=C(C(=O)OC)C=1)N1CCNCC1

Computed Properties

  • Exact Mass: 346.018
  • Monoisotopic Mass: 346.018
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 269
  • 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
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 1.9

Methyl 5-iodo-2-(piperazin-1-yl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
K19700-25G
methyl 5-iodo-2-(piperazin-1-yl)benzoate
 1131587-36-4 95%
25g
 $2495 2023-05-18

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