306987 <common-name>(1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate</common-name> <description>(1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the formula C17H18F3NO3 and an average molecular weight of 341.32 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas nil="true"/> <pubchem-id>58829</pubchem-id> <chemical-formula>C17H18F3NO3</chemical-formula> <weight>341.32</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">2026-08-29T00:54:04Z</created-at> <updated-at type="dateTime">2026-08-29T00:54:04Z</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>CN1CCC(CC1)OC(=O)C(C#CC(F)(F)F)(C2=CC=CC=C2)O</moldb-smiles> <moldb-formula>C17H18F3NO3</moldb-formula> <moldb-inchi>InChI=1S/C17H18F3NO3/c1-21-11-7-14(8-12-21)24-15(22)16(23,9-10-17(18,19)20)13-5-3-2-4-6-13/h2-6,14,23H,7-8,11-12H2,1H3</moldb-inchi> <moldb-inchikey>MBVOUOOXWCDBOS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">341.1238779</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>CHEM302880</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>(1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0258039</sync-id> <structure-inchikey>MBVOUOOXWCDBOS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000002100000000000000000000010000800000000000000010000000200000000001000004000000004000000000000000000000000000000000000000000000000000000020000020000100000000000000000000000000010000000000000000000000000000020100000100000000400000100000000040000000800000000200004000000000000100000000080000008000000000000004000000000000080000002042000000060000008000000000000000000000000000000000000000100000000000000000000000000200000000000000000000000000000040000000080400800000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>5010002081128e4088000b40012820000000140001052000003100408220884c44020050118008000100410800c08000042002a560cc32010020643900a04200c6110c001280040000901160026203020804858051211f3240040462400049000e2805271048020040000400d5b40000248080500505e0043118000002510002504400080ef0820808060240882c0008191c081644401482000408000040808000c310000090c80000000860017d65100ac00001894108401080021808c80212a01100a404900022018004803511028000050210030050000d0000000800020090004a10088180800000000150162084001004308042800e1000110052000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������(�������(�������(������� ������(�������(������� ���� � ���� � ���� � �����@(������@h�������@h�������@h�������@h�������@h��������`����������������������������� � (�� � ������� � �� �� �� ����h���h���h���h���h� �������h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:19Z</structure-indexed-at> </compound>