About 4-(oxan-4-ylmethyl)morpholine
4-(oxan-4-ylmethyl)morpholine (PubChem CID 122244931) has the molecular formula C10H19NO2
and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(oxan-4-ylmethyl)morpholine.
Molecular Properties
| Compound Name | 4-(oxan-4-ylmethyl)morpholine |
| PubChem CID | 122244931 |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.27 g/mol |
| Exact Mass | 185.14 |
| IUPAC Name | 4-(oxan-4-ylmethyl)morpholine |
| SMILES | C1CC(CN2CCOCC2)CCO1 |
| InChI | InChI=1S/C10H19NO2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h10H,1-9H2 |
| InChIKey | KWYLXUUFGSNETM-UHFFFAOYSA-N |
| XLogP | 0.75 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 185.27 |
| LogP ≤ 5 | 0.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-(oxan-4-ylmethyl)morpholine?
The IUPAC name of 4-(oxan-4-ylmethyl)morpholine (CID 122244931) is 4-(oxan-4-ylmethyl)morpholine.
What is the SMILES notation for 4-(oxan-4-ylmethyl)morpholine?
The canonical SMILES for 4-(oxan-4-ylmethyl)morpholine is C1CC(CN2CCOCC2)CCO1.
What is the InChIKey of 4-(oxan-4-ylmethyl)morpholine?
The InChIKey is KWYLXUUFGSNETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h10H,1-9H2.
What are the key properties of 4-(oxan-4-ylmethyl)morpholine?
4-(oxan-4-ylmethyl)morpholine has a molecular weight of 185.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethyl)morpholine is sourced from PubChem (CID 122244931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).