About 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol (PubChem CID 117381500) has the molecular formula C14H21NO3
and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol.
Molecular Properties
| Compound Name | 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol |
| PubChem CID | 117381500 |
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.33 g/mol |
| Exact Mass | 251.15 |
| IUPAC Name | 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol |
| SMILES | COc1c(OC2CCCNC2)cccc1C(C)O |
| InChI | InChI=1S/C14H21NO3/c1-10(16)12-6-3-7-13(14(12)17-2)18-11-5-4-8-15-9-11/h3,6-7,10-11,15-16H,4-5,8-9H2,1-2H3 |
| InChIKey | FUCIZOLTAWZMNS-UHFFFAOYSA-N |
| XLogP | 1.88 |
| TPSA | 50.72 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 251.33 |
| LogP ≤ 5 | 1.88 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol (CID 117381500) is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The canonical SMILES for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol is COc1c(OC2CCCNC2)cccc1C(C)O.
What is the InChIKey of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The InChIKey is FUCIZOLTAWZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)12-6-3-7-13(14(12)17-2)18-11-5-4-8-15-9-11/h3,6-7,10-11,15-16H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 117381500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).