About 4-(1-piperidin-2-ylpropan-2-yloxy)phenol
4-(1-piperidin-2-ylpropan-2-yloxy)phenol (PubChem CID 105496690) has the molecular formula C14H21NO2
and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(1-piperidin-2-ylpropan-2-yloxy)phenol.
Molecular Properties
| Compound Name | 4-(1-piperidin-2-ylpropan-2-yloxy)phenol |
| PubChem CID | 105496690 |
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.33 g/mol |
| Exact Mass | 235.16 |
| IUPAC Name | 4-(1-piperidin-2-ylpropan-2-yloxy)phenol |
| SMILES | CC(CC1CCCCN1)Oc1ccc(O)cc1 |
| InChI | InChI=1S/C14H21NO2/c1-11(10-12-4-2-3-9-15-12)17-14-7-5-13(16)6-8-14/h5-8,11-12,15-16H,2-4,9-10H2,1H3 |
| InChIKey | SKBFMUIGOSZJII-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 41.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.33 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-(1-piperidin-2-ylpropan-2-yloxy)phenol?
The IUPAC name of 4-(1-piperidin-2-ylpropan-2-yloxy)phenol (CID 105496690) is 4-(1-piperidin-2-ylpropan-2-yloxy)phenol.
What is the SMILES notation for 4-(1-piperidin-2-ylpropan-2-yloxy)phenol?
The canonical SMILES for 4-(1-piperidin-2-ylpropan-2-yloxy)phenol is CC(CC1CCCCN1)Oc1ccc(O)cc1.
What is the InChIKey of 4-(1-piperidin-2-ylpropan-2-yloxy)phenol?
The InChIKey is SKBFMUIGOSZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-12-4-2-3-9-15-12)17-14-7-5-13(16)6-8-14/h5-8,11-12,15-16H,2-4,9-10H2,1H3.
What are the key properties of 4-(1-piperidin-2-ylpropan-2-yloxy)phenol?
4-(1-piperidin-2-ylpropan-2-yloxy)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-2-ylpropan-2-yloxy)phenol is sourced from PubChem (CID 105496690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).