TL;DR: Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride (CAS 158553-39-0) is a chemical compound with molecular formula C14H19ClN6O2 and molecular weight 338.1258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
Also Known As: Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride, 1-(2-(5-(4-Nitrophenyl)-2H-tetrazol-2-yl)ethyl)piperidine monohydrochloride, 1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine hydrochloride, 1-{2-[5-(4-Nitrophenyl)-2H-tetrazol-2-yl]ethyl}piperidine--hydrogen chloride (1/1)
| Molecular Formula | C14H19ClN6O2 |
| Molecular Weight | 338.1258 g/mol |
| XLogP | 2.156 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1258 Da |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
| SMILES | C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-].Cl |
| InChIKey | LKPYDMPFHNAVKF-UHFFFAOYSA-N |
The XLogP value of 2.156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride is 158553-39-0.
The molecular formula of Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride is C14H19ClN6O2.
The molecular weight of Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, monohydrochloride is 338.1258 g/mol.
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