<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348774</id>
  <title nil="true"/>
  <common-name>Ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate</common-name>
  <description>Ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate is a chemical compound with the formula C28H45N3O4. It has an average molecular weight of 487.70 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3053814</pubchem-id>
  <chemical-formula>C28H45N3O4</chemical-formula>
  <weight>487.7</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">2026-08-31T12:56:06Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:56:06Z</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>CCOC(=O)C1(C(CN(CC1CN2CCOCC2)CC(C)C)CN3CCOCC3)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C28H45N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C28H45N3O4/c1-4-35-27(32)28(24-8-6-5-7-9-24)25(19-29-10-14-33-15-11-29)21-31(18-23(2)3)22-26(28)20-30-12-16-34-17-13-30/h5-9,23,25-26H,4,10-22H2,1-3H3</moldb-inchi>
  <moldb-inchikey>BXLVFZCDLZNNNF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">487.3410069</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM344667</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>Ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-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>Piperidines</klass>
  <subklass>Phenylpiperidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299102</sync-id>
  <structure-inchikey>BXLVFZCDLZNNNF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000001000000000000800000000000001010000000000000000000000000000000001002000000000000000000000004000000000000000000000000000010001000000008000000000000000000000020800000000900000000001000000018000000010000004000000000000000000800020100022000400000000000100000000048000000800000000000000000000000000100000000020000000002020000000000000000000000080000040000080040000000008000000000000010000000000020000000000000000000000000000000002000000200000000010000000000000140000040080000000420000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���&amp;���€���`�������`�������(�������(�������(������� ������`�������`������� ������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������`�������`������� ������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@h��������������� ��(��������������	�	
�
��������������������������������������������������������h���h�� h� !h�!"h�
��������"�h�B�������	
������������������ !"�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:47:02Z</structure-indexed-at>
</compound>
