About 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 63971924) has the molecular formula C12H24N2O
and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine.
Molecular Properties
| Compound Name | 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine |
| PubChem CID | 63971924 |
| Molecular Formula | C12H24N2O |
| Molecular Weight | 212.34 g/mol |
| Exact Mass | 212.19 |
| IUPAC Name | 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine |
| SMILES | COCC1CCN(CC2CCCN2)CC1 |
| InChI | InChI=1S/C12H24N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h11-13H,2-10H2,1H3 |
| InChIKey | XSAUAVUCOLRMTN-UHFFFAOYSA-N |
| XLogP | 1.10 |
| TPSA | 24.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.34 |
| LogP ≤ 5 | 1.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine (CID 63971924) is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine is COCC1CCN(CC2CCCN2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is XSAUAVUCOLRMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 63971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).