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CHEBI:141775 - N-(p-octylbenzoyl)-piperidin-4-ol

ChEBI IDCHEBI:141775
ChEBI NameN-(p-octylbenzoyl)-piperidin-4-ol
Stars
ASCII NameN-(p-octylbenzoyl)-piperidin-4-ol
DefinitionA tertiary carboxamide resulting from the formal condensation between of the carboxy group of p-octylbenzoic acid with the amino group of 4-hydroxypiperidine.
Last Modified20 September 2018
SubmitterCeri
DownloadsMolfile
FormulaC20H31NO2
Net Charge0
Average Mass317.473
Monoisotopic Mass317.23548
SMILESCCCCCCCCc1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)20(23)21-15-13-19(22)14-16-21/h9-12,19,22H,2-8,13-16H2,1H3
InChIKeySGUNQORPACNMOZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.1.91 (sphingosine kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of sphinganine kinase (EC 2.7.1.91).
ChEBI Ontology
Outgoing Relation(s)
N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) has role EC 2.7.1.91 (sphingosine kinase) inhibitor (CHEBI:78760)
N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a N-acylpiperidine (CHEBI:48591)
N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a secondary alcohol (CHEBI:35681)
N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(4-hydroxypiperidin-1-yl)(4-octylphenyl)methanone
Synonyms  Source
RB-046SUBMITTER
BT-190SUBMITTER
4-hydroxy-1-(p-octylbenzoyl)-piperidineChEBI
(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanoneChEBI
1-(p-octylbenzoyl)-piperidin-4-olChEBI
4-hydroxy-1-(4-octylbenzoyl)-piperidineChEBI
Manual XrefsDatabases
72735810PubChem Compound
WO2014118556Patent
Registry NumbersSources
Reaxys:24627315Reaxys
Citations