About 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine (PubChem CID 63129487) has the molecular formula C14H28N2
and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine.
Molecular Properties
| Compound Name | 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine |
| PubChem CID | 63129487 |
| Molecular Formula | C14H28N2 |
| Molecular Weight | 224.39 g/mol |
| Exact Mass | 224.23 |
| IUPAC Name | 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine |
| SMILES | CCC1(CN2CCC(C)CC2)CCNCC1 |
| InChI | InChI=1S/C14H28N2/c1-3-14(6-8-15-9-7-14)12-16-10-4-13(2)5-11-16/h13,15H,3-12H2,1-2H3 |
| InChIKey | GKQDKBCKBOIMSM-UHFFFAOYSA-N |
| XLogP | 2.50 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.39 |
| LogP ≤ 5 | 2.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine (CID 63129487) is 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine is CCC1(CN2CCC(C)CC2)CCNCC1.
What is the InChIKey of 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine?
The InChIKey is GKQDKBCKBOIMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-14(6-8-15-9-7-14)12-16-10-4-13(2)5-11-16/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine?
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 63129487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).