TL;DR: Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate (CAS 158553-36-7) is a chemical compound with molecular formula C16H23N5O2 and molecular weight 317.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine
Also Known As: Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate, 1-(2-(5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine hydrate, 1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine, 5-(3,4-Dimethoxyphenyl)-2-(2-piperidinoethyl)-2H-tetrazole, 1-{2-[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]ethyl}piperidine
| Molecular Formula | C16H23N5O2 |
| Molecular Weight | 317.18518 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.18518 Da |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
| SMILES | COC1=C(C=C(C=C1)C2=NN(N=N2)CCN3CCCCC3)OC |
| InChIKey | YHMPMCQDJACYEJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate. Following Lipinski's Rule of Five, Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate has 0 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-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate is 158553-36-7.
The molecular formula of Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate is C16H23N5O2.
The molecular weight of Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate is 317.18518 g/mol.
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