<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">315229</id>
  <title nil="true"/>
  <common-name>Cyclohexyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>212469</pubchem-id>
  <chemical-formula>C18H35N3O2</chemical-formula>
  <weight>325.5</weight>
  <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">2026-08-29T12:33:08Z</created-at>
  <updated-at type="dateTime">2026-08-29T12:33:08Z</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>CCCCCNCCN1CCN(CC1)C(=O)OC2CCCCC2</moldb-smiles>
  <moldb-formula>C18H35N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H35N3O2/c1-2-3-7-10-19-11-12-20-13-15-21(16-14-20)18(22)23-17-8-5-4-6-9-17/h17,19H,2-16H2,1H3</moldb-inchi>
  <moldb-inchikey>GOVMCDGGGHCQBV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">325.2729274</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM311122</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Cyclohexyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0266101</sync-id>
  <structure-inchikey>GOVMCDGGGHCQBV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000040000000000002080000000010000000000000000000100000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000008001800000000000002000100004010000200000000000001000002001000000000000000000002000000002010000000000000000080010080000004040000000000000020000508000000000000000000000000000000000000000002400000000000000000000200000000800000000a000000000000000000000000004000000000000000000000000000000000000000000000000010000000000000000000000000000010400000000000000000000004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>441000000112064000000900010820003000040000052000103100400200000c4002005000800001000041000080000004200025408c30010020643000a00000c6110c00020000000090100000620000000401804001003240000422000049000c200004004002000000040055340000200080500101a0041198020002510002404400980ee0820808020240082c0008111c4856440014020004080000400000084310001010c00000000844016d25100ac00001884108401000020000c00210001000840400002201800000010102800000000002004000090000000800020000000800000000000200000040022004001000308042000e0000018050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������(�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������������������������������	�	
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	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:21:31Z</structure-indexed-at>
</compound>
