About 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (PubChem CID 43688309) has the molecular formula C16H27N3O2
and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.
Molecular Properties
| Compound Name | 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine |
| PubChem CID | 43688309 |
| Molecular Formula | C16H27N3O2 |
| Molecular Weight | 293.41 g/mol |
| Exact Mass | 293.21 |
| IUPAC Name | 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine |
| SMILES | COCCOc1ccc(NC(C)C2CCN(C)CC2)cn1 |
| InChI | InChI=1S/C16H27N3O2/c1-13(14-6-8-19(2)9-7-14)18-15-4-5-16(17-12-15)21-11-10-20-3/h4-5,12-14,18H,6-11H2,1-3H3 |
| InChIKey | APUNJYAXNGDVHO-UHFFFAOYSA-N |
| XLogP | 2.25 |
| TPSA | 46.62 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 293.41 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (CID 43688309) is 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is COCCOc1ccc(NC(C)C2CCN(C)CC2)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The InChIKey is APUNJYAXNGDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(14-6-8-19(2)9-7-14)18-15-4-5-16(17-12-15)21-11-10-20-3/h4-5,12-14,18H,6-11H2,1-3H3.
What are the key properties of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine has a molecular weight of 293.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43688309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).