About [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol
[4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol (PubChem CID 106299445) has the molecular formula C11H19NO2
and a molecular weight of 197.28 g/mol. Its IUPAC name is [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol.
Molecular Properties
| Compound Name | [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol |
| PubChem CID | 106299445 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.28 g/mol |
| Exact Mass | 197.14 |
| IUPAC Name | [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol |
| SMILES | OCC1(N2CC3(CC3)C2)CCOCC1 |
| InChI | InChI=1S/C11H19NO2/c13-9-11(3-5-14-6-4-11)12-7-10(8-12)1-2-10/h13H,1-9H2 |
| InChIKey | VDBFNBVRKWOOIG-UHFFFAOYSA-N |
| XLogP | 0.62 |
| TPSA | 32.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 197.28 |
| LogP ≤ 5 | 0.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol?
The IUPAC name of [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol (CID 106299445) is [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol?
The canonical SMILES for [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol is OCC1(N2CC3(CC3)C2)CCOCC1.
What is the InChIKey of [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol?
The InChIKey is VDBFNBVRKWOOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-11(3-5-14-6-4-11)12-7-10(8-12)1-2-10/h13H,1-9H2.
What are the key properties of [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol?
[4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol has a molecular weight of 197.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol is sourced from PubChem (CID 106299445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).