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CHEBI:83284 - 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate

Default Structure
ChEBI IDCHEBI:83284
ChEBI Name3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
Stars
DefinitionA member of the class of piperidines that is 2-methylpiperidine in which the hydrogen attached to the nitrogen is replaced by a 3-[(3,4-dichlorobenzoyl)oxy]propyl group.
Last Modified22 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H21Cl2NO2
Net Charge0
Average Mass330.255
Monoisotopic Mass329.09493
SMILESCC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyBZGLBXYQOMFXAU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) has functional parent 3,4-dichlorobenzoic acid (CHEBI:49401)
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) is a benzoate ester (CHEBI:36054)
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) is a dichlorobenzene (CHEBI:23697)
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) is a piperidines (CHEBI:26151)
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(R)-piperalin (CHEBI:83285) is a 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284)
(S)-piperalin (CHEBI:83286) is a 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284)
IUPAC Name 
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
Manual XrefsDatabases
1201PPDB