4-Benzyloxy-cyclohexyl Ketone (Mixture of Diastereomers) is a potentially useful chemical for biochemical research.
| Pubchem Sid | 488199030 |
|---|---|
| Canonical Smiles | COC1=C(C=C2C(=C1)CC(C2=O)C(C3CCN(CC3)CC4=CC=CC=C4)O)OC |
| IUPAC Name | 2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChIKey | QKRVJLPAJNHQKT-UHFFFAOYSA-N |
| INCHI | 1S/C24H29NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,20,23,26H,8-12,15H2,1-2H3 |
| Isomeric SMILES | COC1=C(C=C2C(=C1)CC(C2=O)C(C3CCN(CC3)CC4=CC=CC=C4)O)OC |
| Molecular Weight | 395.49 |
| Reaxy-Rn | 15439144 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15439144&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 | N-benzylpiperidines |
| Alternative Parents | Indanones Phenylmethylamines Benzylamines Aryl alkyl ketones Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Indanone - Indane - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| 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 |
|---|---|---|---|
 E2309686 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309691 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309692 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309693 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309699 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309706 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309707 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309708 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309709 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| E2309713 | Certificate of Analysis | Feb 05, 2026 | H352353 |
| Solubility | Soluble in chloroform, DMSO, and methanol (Sparingly) . |
|---|---|
| Refractive Index | n20D1.60 (Predicted) |
| Boil Point(°C) | ~566.5° C at 760 mmHg (Predicted) |
| Melt Point(°C) | >145° C (dec.) (Predicted) |
| Molecular Weight | 395.500 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 395.21 Da |
| Monoisotopic Mass | 395.21 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 541.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
