About 4-(1-ethoxyprop-1-enyl)piperidine
4-(1-ethoxyprop-1-enyl)piperidine (PubChem CID 90986736) has the molecular formula C10H19NO
and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(1-ethoxyprop-1-enyl)piperidine.
Molecular Properties
| Compound Name | 4-(1-ethoxyprop-1-enyl)piperidine |
| PubChem CID | 90986736 |
| Molecular Formula | C10H19NO |
| Molecular Weight | 169.27 g/mol |
| Exact Mass | 169.15 |
| IUPAC Name | 4-(1-ethoxyprop-1-enyl)piperidine |
| SMILES | CC=C(OCC)C1CCNCC1 |
| InChI | InChI=1S/C10H19NO/c1-3-10(12-4-2)9-5-7-11-8-6-9/h3,9,11H,4-8H2,1-2H3 |
| InChIKey | OYCVHXOPWFBTDW-UHFFFAOYSA-N |
| XLogP | 1.93 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 169.27 |
| LogP ≤ 5 | 1.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(1-ethoxyprop-1-enyl)piperidine?
The IUPAC name of 4-(1-ethoxyprop-1-enyl)piperidine (CID 90986736) is 4-(1-ethoxyprop-1-enyl)piperidine.
What is the SMILES notation for 4-(1-ethoxyprop-1-enyl)piperidine?
The canonical SMILES for 4-(1-ethoxyprop-1-enyl)piperidine is CC=C(OCC)C1CCNCC1.
What is the InChIKey of 4-(1-ethoxyprop-1-enyl)piperidine?
The InChIKey is OYCVHXOPWFBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(12-4-2)9-5-7-11-8-6-9/h3,9,11H,4-8H2,1-2H3.
What are the key properties of 4-(1-ethoxyprop-1-enyl)piperidine?
4-(1-ethoxyprop-1-enyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyprop-1-enyl)piperidine is sourced from PubChem (CID 90986736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).