<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44440</id>
  <title nil="true"/>
  <common-name>tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate</common-name>
  <description nil="true"/>
  <cas>571189-16-7</cas>
  <pubchem-id>11243758</pubchem-id>
  <chemical-formula>C14H20N4O4</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T10:49:46Z</created-at>
  <updated-at type="dateTime">2026-03-26T19:53:09Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(C=C1)N(=O)=O</moldb-smiles>
  <moldb-formula>C14H20N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3</moldb-inchi>
  <moldb-inchikey>SUWKOEMQNOBJEQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">308.338</moldb-average-mass>
  <moldb-mono-mass type="decimal">308.14845514</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>9418794</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM043335</chemdb-id>
  <dsstox-id>DTXSID00459953</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00002224</stoff-ident-id>
  <susdat-id>NS00001807</susdat-id>
  <iupac>tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate</iupac>
</compound>
