303553 <common-name>(2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate</common-name> <description>(2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C16H24N2O2 and an average molecular weight of 276.37 g/mol.</description> <cas nil="true"/> <pubchem-id>24842282</pubchem-id> <chemical-formula>C16H24N2O2</chemical-formula> <weight>276.37</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">2026-08-28T20:52:07Z</created-at> <updated-at type="dateTime">2026-08-28T20:52:07Z</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>CC1=C(C(=CC=C1)C)OC(=O)CCN2CCN(CC2)C</moldb-smiles> <moldb-formula>C16H24N2O2</moldb-formula> <moldb-inchi>InChI=1S/C16H24N2O2/c1-13-5-4-6-14(2)16(13)20-15(19)7-8-18-11-9-17(3)10-12-18/h4-6H,7-12H2,1-3H3</moldb-inchi> <moldb-inchikey>JIBHIXKPYYNGST-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">276.183778</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM299446</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>(2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate</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>Benzenoids</superklass> <klass>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer">3</paper-count> <sync-id>CED0049029</sync-id> <structure-inchikey>JIBHIXKPYYNGST-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000002080000000001000000000000000400001000000000000000000000000000000040000000000000000000000000000400000000000000000000000000000000000000000000000002000000000010000000000000000000000000001000000000000000040000000000002010000000000000000000000000300004000000080000000000000400000000000000000000008000000000000000000000000000000000008210000000000000000000000a00000000000000000000c000000000000000000000000000000000000002040000200000000010000000000000000000040000000000400000000000000000001000000000000</structure-fingerprint> <structure-pattern-fingerprint>5010002001220e4088000900010820000000040000052000003520400200000c40020050008000000000410800800000042100a5408c30010020643000a04000c6110c00020006000090102010620300000405805000113240000622000049000c200406004082000000040054340001200080500105e0041198000002510002004400080cc0800808020240882c0008111c0812444014820004080000408080084300001010c00000000848017c25100ac00000894108401000020008c002100010008404000032018000000401028000000000020050000d0002000800010000100a1000010000000000024012200000102030804200060000000050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@h�������@h�������@h��������`�������(�������(�������(�������`�������`������� ������`�������`������� ������`�������`�������`�����������h���h���h���h���h������ � (� ������ � �������������������h�� �B����������������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:53Z</structure-indexed-at> </compound>