| Canonical Smiles | CNC1CCN(CC1)CC2=C(C=CC=C2OC)OC |
|---|---|
| IUPAC Name | 1-[(2,6-dimethoxyphenyl)methyl]-N-methylpiperidin-4-amine |
| InChIKey | GDSOHLHQWSFYJN-UHFFFAOYSA-N |
| INCHI | 1S/C15H24N2O2/c1-16-12-7-9-17(10-8-12)11-13-14(18-2)5-4-6-15(13)19-3/h4-6,12,16H,7-11H2,1-3H3 |
| Isomeric SMILES | CNC1CCN(CC1)CC2=C(C=CC=C2OC)OC |
| PubChem CID | 2761132 |
| Molecular Weight | 264.37 |
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 | Dimethoxybenzenes Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Aminopiperidines Alkyl aryl ethers Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylpiperidine - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenylmethylamine - Phenol ether - Alkyl aryl ether - 4-aminopiperidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 58-60° |
| Molecular Weight | 264.360 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 264.184 Da |
| Monoisotopic Mass | 264.184 Da |
| Topological Polar Surface Area | 33.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |
