About 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine (PubChem CID 158397131) has the molecular formula C17H34N2
and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine.
Molecular Properties
| Compound Name | 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine |
| PubChem CID | 158397131 |
| Molecular Formula | C17H34N2 |
| Molecular Weight | 266.47 g/mol |
| Exact Mass | 266.27 |
| IUPAC Name | 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine |
| SMILES | CCC1CCN(CCC2CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C17H34N2/c1-4-16-5-10-18(11-6-16)12-7-17-8-13-19(14-9-17)15(2)3/h15-17H,4-14H2,1-3H3 |
| InChIKey | BXBCBBRIOVRQOE-UHFFFAOYSA-N |
| XLogP | 3.62 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.47 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The IUPAC name of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine (CID 158397131) is 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The canonical SMILES for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine is CCC1CCN(CCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
The InChIKey is BXBCBBRIOVRQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-16-5-10-18(11-6-16)12-7-17-8-13-19(14-9-17)15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine?
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine is sourced from PubChem (CID 158397131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).