About 4-ethyl-1-(4-ethylphenyl)piperidine
4-ethyl-1-(4-ethylphenyl)piperidine (PubChem CID 70847074) has the molecular formula C15H23N
and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethylphenyl)piperidine.
Molecular Properties
| Compound Name | 4-ethyl-1-(4-ethylphenyl)piperidine |
| PubChem CID | 70847074 |
| Molecular Formula | C15H23N |
| Molecular Weight | 217.36 g/mol |
| Exact Mass | 217.18 |
| IUPAC Name | 4-ethyl-1-(4-ethylphenyl)piperidine |
| SMILES | CCc1ccc(N2CCC(CC)CC2)cc1 |
| InChI | InChI=1S/C15H23N/c1-3-13-5-7-15(8-6-13)16-11-9-14(4-2)10-12-16/h5-8,14H,3-4,9-12H2,1-2H3 |
| InChIKey | CJEFQUPPHWRUCW-UHFFFAOYSA-N |
| XLogP | 3.88 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 217.36 |
| LogP ≤ 5 | 3.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-ethyl-1-(4-ethylphenyl)piperidine?
The IUPAC name of 4-ethyl-1-(4-ethylphenyl)piperidine (CID 70847074) is 4-ethyl-1-(4-ethylphenyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(4-ethylphenyl)piperidine?
The canonical SMILES for 4-ethyl-1-(4-ethylphenyl)piperidine is CCc1ccc(N2CCC(CC)CC2)cc1.
What is the InChIKey of 4-ethyl-1-(4-ethylphenyl)piperidine?
The InChIKey is CJEFQUPPHWRUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-13-5-7-15(8-6-13)16-11-9-14(4-2)10-12-16/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-ethylphenyl)piperidine?
4-ethyl-1-(4-ethylphenyl)piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethylphenyl)piperidine is sourced from PubChem (CID 70847074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).