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CHEBI:83294 - (S)-fenpropidin

ChEBI IDCHEBI:83294
ChEBI Name(S)-fenpropidin
Stars
ASCII Name(S)-fenpropidin
DefinitionA 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine that has S configuration.
Last Modified14 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H31N
Net Charge0
Average Mass273.464
Monoisotopic Mass273.24565
SMILESC[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1
InChIInChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/t16-/m0/s1
InChIKeyMGNFYQILYYYUBS-INIZCTEOSA-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)
(S)-fenpropidin (CHEBI:83294) is a 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine (CHEBI:83291)
(S)-fenpropidin (CHEBI:83294) is enantiomer of (R)-fenpropidin (CHEBI:83293)
Incoming Relation(s)
fenpropidin (CHEBI:81917) has part (S)-fenpropidin (CHEBI:83294)
(R)-fenpropidin (CHEBI:83293) is enantiomer of (S)-fenpropidin (CHEBI:83294)
IUPAC Name 
1-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine