About 1-(2-methoxyethyl)-4-methylidenepiperidine
1-(2-methoxyethyl)-4-methylidenepiperidine (PubChem CID 21023790) has the molecular formula C9H17NO
and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylidenepiperidine.
Molecular Properties
| Compound Name | 1-(2-methoxyethyl)-4-methylidenepiperidine |
| PubChem CID | 21023790 |
| Molecular Formula | C9H17NO |
| Molecular Weight | 155.24 g/mol |
| Exact Mass | 155.13 |
| IUPAC Name | 1-(2-methoxyethyl)-4-methylidenepiperidine |
| SMILES | C=C1CCN(CCOC)CC1 |
| InChI | InChI=1S/C9H17NO/c1-9-3-5-10(6-4-9)7-8-11-2/h1,3-8H2,2H3 |
| InChIKey | ATXLODCPDDOROF-UHFFFAOYSA-N |
| XLogP | 1.28 |
| TPSA | 12.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 155.24 |
| LogP ≤ 5 | 1.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-methoxyethyl)-4-methylidenepiperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-methylidenepiperidine (CID 21023790) is 1-(2-methoxyethyl)-4-methylidenepiperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylidenepiperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylidenepiperidine is C=C1CCN(CCOC)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylidenepiperidine?
The InChIKey is ATXLODCPDDOROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9-3-5-10(6-4-9)7-8-11-2/h1,3-8H2,2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylidenepiperidine?
1-(2-methoxyethyl)-4-methylidenepiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylidenepiperidine is sourced from PubChem (CID 21023790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).