About 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine
3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine (PubChem CID 102965792) has the molecular formula C13H26N2O
and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine.
Molecular Properties
| Compound Name | 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine |
| PubChem CID | 102965792 |
| Molecular Formula | C13H26N2O |
| Molecular Weight | 226.36 g/mol |
| Exact Mass | 226.20 |
| IUPAC Name | 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine |
| SMILES | COC1CN(C2CNCC(C)C2)CCC1C |
| InChI | InChI=1S/C13H26N2O/c1-10-6-12(8-14-7-10)15-5-4-11(2)13(9-15)16-3/h10-14H,4-9H2,1-3H3 |
| InChIKey | MHVGZUIEUAFOST-UHFFFAOYSA-N |
| XLogP | 1.34 |
| TPSA | 24.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.36 |
| LogP ≤ 5 | 1.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine?
The IUPAC name of 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine (CID 102965792) is 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine.
What is the SMILES notation for 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine?
The canonical SMILES for 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine is COC1CN(C2CNCC(C)C2)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine?
The InChIKey is MHVGZUIEUAFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-6-12(8-14-7-10)15-5-4-11(2)13(9-15)16-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine?
3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine is sourced from PubChem (CID 102965792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).