| Pubchem Sid | 488195877 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195877 |
| Canonical Smiles | CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl |
| IUPAC Name | 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride |
| InChIKey | WFFZHKKSIDENAJ-UHFFFAOYSA-N |
| INCHI | 1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H |
| Isomeric SMILES | CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl |
| Molecular Weight | 377.9 |
| Reaxy-Rn | 8458032 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8458032&ln= |
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 | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-benzylpiperidines |
| Alternative Parents | 4-alkoxyphenols Phenoxy compounds Phenol ethers Toluenes Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-benzylpiperidine - 4-alkoxyphenol - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine. |
| 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 |
|---|---|---|---|
 A2627050 | Certificate of Analysis | Feb 05, 2026 | C288405 |
| D23081120 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308845 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308846 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308848 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308849 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308850 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308851 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308856 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308861 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| D2308865 | Certificate of Analysis | Jan 20, 2026 | C288405 |
| Solubility | Solvent:water, Max Conc. mg/mL: 37.79, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 18.9, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 377.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 377.176 Da |
| Monoisotopic Mass | 377.176 Da |
| Topological Polar Surface Area | 52.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
