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CHEBI:145895 - (S,S)-2,5-di-(p-hydroxybenzyl)piperazine

ChEBI IDCHEBI:145895
ChEBI Name(S,S)-2,5-di-(p-hydroxybenzyl)piperazine
Stars
ASCII Name(S,S)-2,5-di-(p-hydroxybenzyl)piperazine
DefinitionA member of the class of piperazines that is piperazine in which the pro-S hydrogens at positions 2 and 5 have each been replaced by a p-hydroxybenzyl group.
Last Modified24 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H22N2O2
Net Charge0
Average Mass298.386
Monoisotopic Mass298.16813
SMILESOc1ccc(C[C@H]2CN[C@@H](Cc3ccc(O)cc3)CN2)cc1
InChIInChI=1S/C18H22N2O2/c21-17-5-1-13(2-6-17)9-15-11-20-16(12-19-15)10-14-3-7-18(22)8-4-14/h1-8,15-16,19-22H,9-12H2/t15-,16-/m0/s1
InChIKeyCMWOCHXOAOFYCY-HOTGVXAUSA-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,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895) is a piperazines (CHEBI:26144)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895) is a polyphenol (CHEBI:26195)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895) is a secondary amino compound (CHEBI:50995)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895) is conjugate base of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882)
Incoming Relation(s)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882) is conjugate acid of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895)
IUPAC Name 
4,4'-[(2S,5S)-piperazine-2,5-diylbis(methylene)]diphenol
Synonyms  Source
(S,S)-2,5-di-(4-hydroxybenzyl)piperazineChEBI
4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]piperazin-2-yl]methyl}phenolChEBI
(2S,5S)-2,5-di-(4-hydroxybenzyl)piperazineChEBI
(2S,5S)-2,5-di-(p-hydroxybenzyl)piperazineChEBI
(2S,5S)-2,5-bis-(4-hydroxybenzyl)piperazineChEBI
(2S,5S)-2,5-bis-(p-hydroxybenzyl)piperazineChEBI
Manual XrefsDatabases
CPD-21532MetaCyc
Citations