About 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol
1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol (PubChem CID 107008625) has the molecular formula C18H33NO
and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol.
Molecular Properties
| Compound Name | 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol |
| PubChem CID | 107008625 |
| Molecular Formula | C18H33NO |
| Molecular Weight | 279.47 g/mol |
| Exact Mass | 279.26 |
| IUPAC Name | 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol |
| SMILES | C=CCCCCCC(O)C1(N2CCCCC2)CCCC1 |
| InChI | InChI=1S/C18H33NO/c1-2-3-4-5-7-12-17(20)18(13-8-9-14-18)19-15-10-6-11-16-19/h2,17,20H,1,3-16H2 |
| InChIKey | SHONROYRZBXPBY-UHFFFAOYSA-N |
| XLogP | 4.28 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 279.47 |
| LogP ≤ 5 | 4.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol (CID 107008625) is 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol is C=CCCCCCC(O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol?
The InChIKey is SHONROYRZBXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-7-12-17(20)18(13-8-9-14-18)19-15-10-6-11-16-19/h2,17,20H,1,3-16H2.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol?
1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol has a molecular weight of 279.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)oct-7-en-1-ol is sourced from PubChem (CID 107008625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).