About 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (PubChem CID 145006333) has the molecular formula C14H26N2O
and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.
Molecular Properties
| Compound Name | 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine |
| PubChem CID | 145006333 |
| Molecular Formula | C14H26N2O |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.20 |
| IUPAC Name | 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine |
| SMILES | CC1CCN(C2CCN(C3COC3)CC2)CC1 |
| InChI | InChI=1S/C14H26N2O/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14/h12-14H,2-11H2,1H3 |
| InChIKey | UXHLNSVFMIHNAR-UHFFFAOYSA-N |
| XLogP | 1.58 |
| TPSA | 15.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.37 |
| LogP ≤ 5 | 1.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (CID 145006333) is 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is CC1CCN(C2CCN(C3COC3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The InChIKey is UXHLNSVFMIHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine has a molecular weight of 238.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is sourced from PubChem (CID 145006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).