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

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ChEBI Name 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
ChEBI ID CHEBI:83284
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H21Cl2NO2
Net Charge 0
Average Mass 330.24900
Monoisotopic Mass 329.09493
InChI InChI=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
InChIKey BZGLBXYQOMFXAU-UHFFFAOYSA-N
SMILES CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Xref Database
1201 PPDB
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Last Modified
22 October 2014
General Comment
2014-10-13 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers and for the racemate [(R)-piperalin, (S)-piperalin, and piperalin, respectively].