BRN 1513869
1-[1-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-phenylpiperidin-4-yl]ethanone
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.5 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 64511-83-7 |
|---|---|
| SMILES | CC(=O)C1(CCN(CC1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3 |
| InChIKey | QLOYGABMEBDXRY-UHFFFAOYSA-N |
📖 Product Overview
BRN 1513869 (CAS: 64511-83-7) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.5 g/mol. Its IUPAC systematic name is 1-[1-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-phenylpiperidin-4-yl]ethanone.
QLOYGABMEBDXRY-UHFFFAOYSA-N.
SMILES: CC(=O)C1(CCN(CC1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3.
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