About 3-quinolin-6-ylpiperidin-3-ol
3-quinolin-6-ylpiperidin-3-ol (PubChem CID 81216403) has the molecular formula C14H16N2O
and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-quinolin-6-ylpiperidin-3-ol.
Molecular Properties
| Compound Name | 3-quinolin-6-ylpiperidin-3-ol |
| PubChem CID | 81216403 |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.30 g/mol |
| Exact Mass | 228.13 |
| IUPAC Name | 3-quinolin-6-ylpiperidin-3-ol |
| SMILES | OC1(c2ccc3ncccc3c2)CCCNC1 |
| InChI | InChI=1S/C14H16N2O/c17-14(6-2-7-15-10-14)12-4-5-13-11(9-12)3-1-8-16-13/h1,3-5,8-9,15,17H,2,6-7,10H2 |
| InChIKey | QNJCCARQNGBLNI-UHFFFAOYSA-N |
| XLogP | 1.81 |
| TPSA | 45.15 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.30 |
| LogP ≤ 5 | 1.81 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-quinolin-6-ylpiperidin-3-ol?
The IUPAC name of 3-quinolin-6-ylpiperidin-3-ol (CID 81216403) is 3-quinolin-6-ylpiperidin-3-ol.
What is the SMILES notation for 3-quinolin-6-ylpiperidin-3-ol?
The canonical SMILES for 3-quinolin-6-ylpiperidin-3-ol is OC1(c2ccc3ncccc3c2)CCCNC1.
What is the InChIKey of 3-quinolin-6-ylpiperidin-3-ol?
The InChIKey is QNJCCARQNGBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(6-2-7-15-10-14)12-4-5-13-11(9-12)3-1-8-16-13/h1,3-5,8-9,15,17H,2,6-7,10H2.
What are the key properties of 3-quinolin-6-ylpiperidin-3-ol?
3-quinolin-6-ylpiperidin-3-ol has a molecular weight of 228.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-6-ylpiperidin-3-ol is sourced from PubChem (CID 81216403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).