Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194294 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194294 |
| Canonical Smiles | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F.Cl |
| IUPAC Name | 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol;hydrochloride |
| InChIKey | NIBVEFRJDFVQLM-UHFFFAOYSA-N |
| INCHI | 1S/C18H22F2N4O.ClH/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13,17,25H,1-2,7-11H2;1H |
| Isomeric SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F.Cl |
| PubChem CID | 3086514 |
| Molecular Weight | 384.86 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Phenylbutylamines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Aralkylamines Halopyrimidines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Trialkylamines Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Phenylbutylamine - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Aromatic alcohol - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Jan 26, 2026 | B286682 | |
| Certificate of Analysis | Mar 02, 2023 | B286682 |
| Solubility | Solvent:water, Max Conc. mg/mL: 9.62, Max Conc. mM: 25 |
|---|---|
| Molecular Weight | 384.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 384.153 Da |
| Monoisotopic Mass | 384.153 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |