About 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine
4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine (PubChem CID 134954093) has the molecular formula C16H17FN2O
and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine.
Molecular Properties
| Compound Name | 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine |
| PubChem CID | 134954093 |
| Molecular Formula | C16H17FN2O |
| Molecular Weight | 272.32 g/mol |
| Exact Mass | 272.13 |
| IUPAC Name | 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine |
| SMILES | Fc1ccc(C(c2ccccn2)N2CCOCC2)cc1 |
| InChI | InChI=1S/C16H17FN2O/c17-14-6-4-13(5-7-14)16(15-3-1-2-8-18-15)19-9-11-20-12-10-19/h1-8,16H,9-12H2 |
| InChIKey | RMCLQCLTIIBHDW-UHFFFAOYSA-N |
| XLogP | 2.64 |
| TPSA | 25.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 272.32 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine?
The IUPAC name of 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine (CID 134954093) is 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine?
The canonical SMILES for 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine is Fc1ccc(C(c2ccccn2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine?
The InChIKey is RMCLQCLTIIBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-6-4-13(5-7-14)16(15-3-1-2-8-18-15)19-9-11-20-12-10-19/h1-8,16H,9-12H2.
What are the key properties of 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine?
4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine has a molecular weight of 272.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-pyridin-2-ylmethyl]morpholine is sourced from PubChem (CID 134954093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).