CHEBI:145882 - (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)

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ChEBI Name (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)
ChEBI ID CHEBI:145882
ChEBI ASCII Name (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)
Definition An ammonium ion derivative resulting from the protonation of one of the amino groups of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H23N2O2
Net Charge +1
Average Mass 299.393
Monoisotopic Mass 299.17540
InChI InChI=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/p+1/t15-,16-/m0/s1
InChIKey CMWOCHXOAOFYCY-HOTGVXAUSA-O
SMILES C1[C@@H](NC[C@@H]([NH2+]1)CC=2C=CC(=CC2)O)CC=3C=CC(=CC3)O
ChEBI Ontology
Outgoing (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882) is a ammonium ion derivative (CHEBI:35274)
(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)
Incoming (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)
IUPAC Name
(2S,5S)-2,5-bis(4-hydroxybenzyl)piperazin-1-ium
Synonyms Sources
(2S,5S)-2,5-bis(p-hydroxybenzyl)piperazin-1-ium ChEBI
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine UniProt
4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]piperazin-2-yl]methyl}phenol(1+) ChEBI
Manual Xref Database
CPD-21532 MetaCyc
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Citations Waiting for Citations Types Sources
23281040 PubMed citation Europe PMC
27690412 PubMed citation SUBMITTER
Last Modified
24 January 2020