≥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 | C1CN(CC2=NC=NC(=O)C21)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 7-benzyl-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one |
| InChIKey | ARGXWQQETZHTBW-UHFFFAOYSA-N |
| INCHI | 1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2 |
| Isomeric SMILES | C1CN(CC2=NC=NC(=O)C21)CC3=CC=CC=C3 |
| PubChem CID | 56924094 |
| Molecular Weight | 241.28 |
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 | Pyridopyrimidines Phenylmethylamines Benzylamines Pyrimidones Aralkylamines Hydropyrimidines Trialkylamines N-acylimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Pyridopyrimidine - Benzylamine - Phenylmethylamine - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Pyrimidine - Benzenoid - Tertiary amine - N-acylimine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amine - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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 | 241.290 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.122 Da |
| Monoisotopic Mass | 241.122 Da |
| Topological Polar Surface Area | 45.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| 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 | 1 |
![7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one - ≥95% , CAS No.1053656-41-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)