≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Canonical Smiles | C1CCC(C1)C(=O)C2=CC=C(C=C2)CN3CCC4(CC3)OCCO4 |
|---|---|
| IUPAC Name | cyclopentyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone |
| InChIKey | NHZZVMMSVAAPRB-UHFFFAOYSA-N |
| INCHI | 1S/C20H27NO3/c22-19(17-3-1-2-4-17)18-7-5-16(6-8-18)15-21-11-9-20(10-12-21)23-13-14-24-20/h5-8,17H,1-4,9-15H2 |
| Isomeric SMILES | C1CCC(C1)C(=O)C2=CC=C(C=C2)CN3CCC4(CC3)OCCO4 |
| PubChem CID | 24724490 |
| Molecular Weight | 329.44 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Alkyl-phenylketones Azaspirodecane derivatives Aryl alkyl ketones Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Ketals 1,3-dioxolanes Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - N-benzylpiperidine - Azaspirodecane - Phenylketone - Benzoyl - Benzylamine - Phenylmethylamine - Aryl alkyl ketone - Aryl ketone - Ketal - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Ketone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Acetal - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aldehyde - 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 |
| Molecular Weight | 329.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.199 Da |
| Monoisotopic Mass | 329.199 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| 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 | 1 |
![Cyclopentyl 4-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]phenyl ketone - ≥95% , CAS No.898758-61-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)