<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1053</id>
  <title>T3D1049</title>
  <common-name>2-Nitromethylene-piperidine</common-name>
  <description>2-Nitromethylene-piperidine belongs to the piperidines, a class of organoheterocyclic compounds within the organic compounds. This exogenous compound has the formula C6H10N2O2 and an average molecular weight of 142.16 g/mol. At room temperature, it exists as a solid.

The compound acts as a neurotransmitter mimic, producing both excitatory and depressant effects that eventually block postsynaptic nicotinic receptors. There are five recorded protein targets for 2-Nitromethylene-piperidine, including the acetylcholine receptor subunit beta (CHRNB1), neuronal acetylcholine receptor subunit alpha-3 (CHRNA3), neuronal acetylcholine receptor subunit alpha-4 (CHRNA4), and neuronal acetylcholine receptor subunit beta-2 (CHRNB2), along with one other protein.</description>
  <cas>50902-03-9</cas>
  <pubchem-id>3103355</pubchem-id>
  <chemical-formula>C6H10N2O2</chemical-formula>
  <weight>142.074230</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity> Acts as a neurotransmitter mimic , having both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. (T10)</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Nitromethylenes are used as pesticides. (T10)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Nitromethylenes are neurotoxic. (T10)</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2009-06-18T21:54:32Z</created-at>
  <updated-at type="dateTime">2026-04-05T15:18:50Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>2-Nitromethylene-piperidine</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[O-][N+](=O)\C=C1\CCCCN1</moldb-smiles>
  <moldb-formula>C6H10N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C6H10N2O2/c9-8(10)5-6-3-1-2-4-7-6/h5,7H,1-4H2/b6-5-</moldb-inchi>
  <moldb-inchikey>SKKTZJVNTSSCLS-WAYWQWQTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">142.1558</moldb-average-mass>
  <moldb-mono-mass type="decimal">142.074227574</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>2358009</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000906</chemdb-id>
  <dsstox-id>DTXSID00897078</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075375</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>57.85</moldb-polar-surface-area>
  <moldb-refractivity>37.9021</moldb-refractivity>
  <moldb-polarizability>14.096736723497997</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>2.3784999181385955</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-0.04</moldb-alogps-logp>
  <moldb-alogps-logs>-1.29</moldb-alogps-logs>
  <moldb-alogps-solubility>7.29e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0058151</sync-id>
  <structure-inchikey>SKKTZJVNTSSCLS-WAYWQWQTSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T03:59:59Z</structure-indexed-at>
</compound>
