About 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine (PubChem CID 130591060) has the molecular formula C11H22N2O
and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine.
Molecular Properties
| Compound Name | 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine |
| PubChem CID | 130591060 |
| Molecular Formula | C11H22N2O |
| Molecular Weight | 198.31 g/mol |
| Exact Mass | 198.17 |
| IUPAC Name | 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine |
| SMILES | COC1(C)CCN(C2CC(N)C2)CC1 |
| InChI | InChI=1S/C11H22N2O/c1-11(14-2)3-5-13(6-4-11)10-7-9(12)8-10/h9-10H,3-8,12H2,1-2H3 |
| InChIKey | CVGWAENPOJDMJE-UHFFFAOYSA-N |
| XLogP | 0.98 |
| TPSA | 38.49 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 | 198.31 |
| LogP ≤ 5 | 0.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine (CID 130591060) is 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine is COC1(C)CCN(C2CC(N)C2)CC1.
What is the InChIKey of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The InChIKey is CVGWAENPOJDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(14-2)3-5-13(6-4-11)10-7-9(12)8-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 130591060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).