About 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 104752985) has the molecular formula C13H23NO2
and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol.
Molecular Properties
| Compound Name | 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol |
| PubChem CID | 104752985 |
| Molecular Formula | C13H23NO2 |
| Molecular Weight | 225.33 g/mol |
| Exact Mass | 225.17 |
| IUPAC Name | 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol |
| SMILES | OC(CN1CC2CCC(C1)O2)C1CCCC1 |
| InChI | InChI=1S/C13H23NO2/c15-13(10-3-1-2-4-10)9-14-7-11-5-6-12(8-14)16-11/h10-13,15H,1-9H2 |
| InChIKey | VEFJEKOTKSABMN-UHFFFAOYSA-N |
| XLogP | 1.40 |
| TPSA | 32.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.33 |
| LogP ≤ 5 | 1.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 104752985) is 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol is OC(CN1CC2CCC(C1)O2)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is VEFJEKOTKSABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(10-3-1-2-4-10)9-14-7-11-5-6-12(8-14)16-11/h10-13,15H,1-9H2.
What are the key properties of 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 225.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 104752985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).