TL;DR: 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine (CAS 136616-34-7) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2-methoxy-4-nitrophenoxy)propyl]piperidine
Also Known As: 1-[3-(2-methoxy-4-nitrophenoxy)propyl]piperidine, 1-[3-(2-methoxy-4-nitrophenoxy)propyl]piperidine hydrochloride, 1-(3-(2-Methoxy-4-nitrophenoxy)propyl)piperidine, 2-methoxy-4-nitro-1-(3-piperidylpropoxy)benzene, Piperidine, 1-[3-(2-methoxy-4-nitrophenoxy)propyl]-
| Molecular Formula | C15H22N2O4 |
| Molecular Weight | 294.15796 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.15796 Da |
| Heavy Atoms | 21 |
| Complexity | 315.0 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])OCCCN2CCCCC2 |
| InChIKey | ZRUYCQABDITGPJ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine. Following Lipinski's Rule of Five, 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine is 136616-34-7.
The molecular formula of 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine is C15H22N2O4.
The molecular weight of 1-[3-(2-Methoxy-4-nitrophenoxy)propyl]piperidine is 294.15796 g/mol.
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