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CHEBI:233625 - 1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one

ChEBI IDCHEBI:233625
ChEBI Name1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one
Stars
ASCII Name1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one
DefinitionA member of the class of piperazines that is piperazine substituted by sulfanylhexanoyl and benzyl groups at positions 1 and 3R, respectively.
Last Modified6 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC17H26N2OS
Net Charge0
Average Mass306.475
Monoisotopic Mass306.17658
SMILESO=C(CCCCCS)N1CCN[C@H](Cc2ccccc2)C1
InChIInChI=1S/C17H26N2OS/c20-17(9-5-2-6-12-21)19-11-10-18-16(14-19)13-15-7-3-1-4-8-15/h1,3-4,7-8,16,18,21H,2,5-6,9-14H2/t16-/m1/s1
InChIKeyDLSWYBIIWCQHQD-MRXNPFEDSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one (CHEBI:233625) has role hapten (CHEBI:59174)
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one (CHEBI:233625) is a N-acylpiperazine (CHEBI:46844)
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one (CHEBI:233625) is a benzenes (CHEBI:22712)
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one (CHEBI:233625) is a tertiary carboxamide (CHEBI:140326)
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one (CHEBI:233625) is a thiol (CHEBI:29256)
IUPAC Name 
1-[(3R)-3-benzylpiperazin-1-yl]-6-sulfanylhexan-1-one
Synonym  Source
MH2(R)ChEBI
Citations