About (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine (PubChem CID 28749865) has the molecular formula C15H23NO2
and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine.
Molecular Properties
| Compound Name | (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine |
| PubChem CID | 28749865 |
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.35 g/mol |
| Exact Mass | 249.17 |
| IUPAC Name | (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine |
| SMILES | CCOc1ccc(OCC[C@H]2CCCCN2)cc1 |
| InChI | InChI=1S/C15H23NO2/c1-2-17-14-6-8-15(9-7-14)18-12-10-13-5-3-4-11-16-13/h6-9,13,16H,2-5,10-12H2,1H3/t13-/m1/s1 |
| InChIKey | XNMFCQDVUXGKKI-CYBMUJFWSA-N |
| XLogP | 3.00 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 249.35 |
| LogP ≤ 5 | 3.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The IUPAC name of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine (CID 28749865) is (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine is CCOc1ccc(OCC[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The InChIKey is XNMFCQDVUXGKKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-14-6-8-15(9-7-14)18-12-10-13-5-3-4-11-16-13/h6-9,13,16H,2-5,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 28749865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).