CHEBI:77070 - 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one
ChEBI ID CHEBI:77070
Definition An aromatic ketone that is N-propylpiperidine in which a hydrogen at positon 2 of the propyl group is replaced by a p-ethylbenzoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H25NO
Net Charge 0
Average Mass 259.38650
Monoisotopic Mass 259.194
InChI InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKey SQUNAWUMZGQQJD-UHFFFAOYSA-N
SMILES CCc1ccc(cc1)C(=O)C(C)CN1CCCCC1
ChEBI Ontology
Outgoing 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one (CHEBI:77070) is a aromatic ketone (CHEBI:76224)
1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one (CHEBI:77070) is a piperidines (CHEBI:26151)
Incoming (R)-eperisone (CHEBI:77071) is a 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one (CHEBI:77070)
(S)-eperisone (CHEBI:77072) is a 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one (CHEBI:77070)
IUPAC Name
1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one
Last Modified
28 January 2014
General Comment
2014-01-28 This is the entry for the entity with unspecified stereochemistry. The racemate, eprisone, has a separate entry.