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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(CCC1N2C=NC3=C2N=CC=C3)CC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 3-(1-benzylpiperidin-4-yl)imidazo[4,5-b]pyridine |
| InChIKey | PPCBCJLLOQPIRW-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N4/c1-2-5-15(6-3-1)13-21-11-8-16(9-12-21)22-14-20-17-7-4-10-19-18(17)22/h1-7,10,14,16H,8-9,11-13H2 |
| Isomeric SMILES | C1CN(CCC1N2C=NC3=C2N=CC=C3)CC4=CC=CC=C4 |
| PubChem CID | 20955395 |
| Molecular Weight | 292.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Imidazopyridines Phenylmethylamines Benzylamines Aralkylamines Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Imidazopyridine - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - 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 | 292.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.169 Da |
| Monoisotopic Mass | 292.169 Da |
| Topological Polar Surface Area | 34.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| 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 |