About 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
1,1-diphenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 4904) has the molecular formula C20H25NO
and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol.
Molecular Properties
| Compound Name | 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol |
| PubChem CID | 4904 |
| Molecular Formula | C20H25NO |
| Molecular Weight | 295.43 g/mol |
| Exact Mass | 295.19 |
| IUPAC Name | 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol |
| SMILES | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2 |
| InChIKey | RQXCLMGKHJWMOA-UHFFFAOYSA-N |
| XLogP | 3.80 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 295.43 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol (CID 4904) is 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is RQXCLMGKHJWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2.
What are the key properties of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
1,1-diphenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 4904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).