EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64060 - 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol

ChEBI IDCHEBI:64060
ChEBI Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
Stars
DefinitionAn N-alkylpiperazine that is 1-(3-chlorophenyl)piperazine carrying a 3,3-diphenyl-2-hydroxyprop-1-yl group at position 4. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types.
Last Modified21 September 2021
SubmitterSteve
DownloadsMolfile
FormulaC25H27ClN2O
Net Charge0
Average Mass406.957
Monoisotopic Mass406.18119
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
InChIKeyQJHCTHPYUOXOGM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) has role geroprotector (CHEBI:176497)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) has role serotonergic antagonist (CHEBI:48279)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is a N-alkylpiperazine (CHEBI:46845)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is a N-arylpiperazine (CHEBI:46848)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is a monochlorobenzenes (CHEBI:83403)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is a secondary alcohol (CHEBI:35681)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is conjugate base of 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059)
Incoming Relation(s)
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059) is conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060)
IUPAC Name 
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
Synonyms  Source
BRL 15572ChEBI
BRL15572ChEBI
BRL-15572ChemIDplus
BRL-15,572ChemIDplus
3-(4-(3-chlorophenyl)-1-piperazinyl)-1,1-diphenyl-2-propanolChemIDplus
1-(diphenylmethyl)-2-(4-(3-chlorophenyl)-1-piperazinyl)ethanolChemIDplus
Manual XrefsDatabases
LSM-1618LINCS
2887678ChemSpider
Registry NumbersSources
Reaxys:9004321Reaxys
CAS:734517-40-9ChemIDplus
Citations