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CHEBI:83285 - (R)-piperalin

ChEBI IDCHEBI:83285
ChEBI Name(R)-piperalin
Stars
ASCII Name(R)-piperalin
DefinitionA 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate that has R configuration.
Last Modified14 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H21Cl2NO2
Net Charge0
Average Mass330.255
Monoisotopic Mass329.09493
SMILESC[C@@H]1CCCCN1CCCOC(=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/t12-/m1/s1
InChIKeyBZGLBXYQOMFXAU-GFCCVEGCSA-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)
(R)-piperalin (CHEBI:83285) is a 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284)
(R)-piperalin (CHEBI:83285) is enantiomer of (S)-piperalin (CHEBI:83286)
Incoming Relation(s)
piperalin (CHEBI:83283) has part (R)-piperalin (CHEBI:83285)
(S)-piperalin (CHEBI:83286) is enantiomer of (R)-piperalin (CHEBI:83285)
IUPAC Name 
3-[(2R)-2-methylpiperidin-1-yl]propyl 3,4-dichlorobenzoate