About 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine
2-(2-cyclohex-2-en-1-yloxyethyl)piperidine (PubChem CID 114620319) has the molecular formula C13H23NO
and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine.
Molecular Properties
| Compound Name | 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine |
| PubChem CID | 114620319 |
| Molecular Formula | C13H23NO |
| Molecular Weight | 209.33 g/mol |
| Exact Mass | 209.18 |
| IUPAC Name | 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine |
| SMILES | C1=CC(OCCC2CCCCN2)CCC1 |
| InChI | InChI=1S/C13H23NO/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12/h2,7,12-14H,1,3-6,8-11H2 |
| InChIKey | HHLRRBGEUJFPOS-UHFFFAOYSA-N |
| XLogP | 2.64 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.33 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 1 |
| 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 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine?
The IUPAC name of 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine (CID 114620319) is 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine.
What is the SMILES notation for 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine?
The canonical SMILES for 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine is C1=CC(OCCC2CCCCN2)CCC1.
What is the InChIKey of 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine?
The InChIKey is HHLRRBGEUJFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12/h2,7,12-14H,1,3-6,8-11H2.
What are the key properties of 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine?
2-(2-cyclohex-2-en-1-yloxyethyl)piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-2-en-1-yloxyethyl)piperidine is sourced from PubChem (CID 114620319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).