About cycloocten-1-yl(piperidin-2-yl)methanol
cycloocten-1-yl(piperidin-2-yl)methanol (PubChem CID 106651718) has the molecular formula C14H25NO
and a molecular weight of 223.36 g/mol. Its IUPAC name is cycloocten-1-yl(piperidin-2-yl)methanol.
Molecular Properties
| Compound Name | cycloocten-1-yl(piperidin-2-yl)methanol |
| PubChem CID | 106651718 |
| Molecular Formula | C14H25NO |
| Molecular Weight | 223.36 g/mol |
| Exact Mass | 223.19 |
| IUPAC Name | cycloocten-1-yl(piperidin-2-yl)methanol |
| SMILES | OC(C1=CCCCCCC1)C1CCCCN1 |
| InChI | InChI=1S/C14H25NO/c16-14(13-10-6-7-11-15-13)12-8-4-2-1-3-5-9-12/h8,13-16H,1-7,9-11H2 |
| InChIKey | VMWMIGWSXIPHKJ-UHFFFAOYSA-N |
| XLogP | 2.77 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.36 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 2 |
| 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 cycloocten-1-yl(piperidin-2-yl)methanol?
The IUPAC name of cycloocten-1-yl(piperidin-2-yl)methanol (CID 106651718) is cycloocten-1-yl(piperidin-2-yl)methanol.
What is the SMILES notation for cycloocten-1-yl(piperidin-2-yl)methanol?
The canonical SMILES for cycloocten-1-yl(piperidin-2-yl)methanol is OC(C1=CCCCCCC1)C1CCCCN1.
What is the InChIKey of cycloocten-1-yl(piperidin-2-yl)methanol?
The InChIKey is VMWMIGWSXIPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14(13-10-6-7-11-15-13)12-8-4-2-1-3-5-9-12/h8,13-16H,1-7,9-11H2.
What are the key properties of cycloocten-1-yl(piperidin-2-yl)methanol?
cycloocten-1-yl(piperidin-2-yl)methanol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl(piperidin-2-yl)methanol is sourced from PubChem (CID 106651718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).