TL;DR: Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1) (CAS 158553-37-8) is a chemical compound with molecular formula C16H26N5O6P and molecular weight 415.16208 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;phosphoric acid
Also Known As: Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1), 1-(2-(5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine phosphate (1:1), 1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine; phosphoric acid, Phosphoric acid--1-{2-[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]ethyl}piperidine (1/1)
| Molecular Formula | C16H26N5O6P |
| Molecular Weight | 415.16208 g/mol |
| XLogP | 0.9146 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16208 Da |
| Heavy Atoms | 28 |
| Complexity | 403.0 |
| SMILES | COC1=C(C=C(C=C1)C2=NN(N=N2)CCN3CCCCC3)OC.OP(=O)(O)O |
| InChIKey | QRHMUCFDHSJWKE-UHFFFAOYSA-N |
The XLogP value of 0.9146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1). The TPSA of 143.0 Ų indicates high polarity, suggesting Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1) has 3 hydrogen bond donor(s) and 10 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)-, phosphate (1:1) is 158553-37-8.
The molecular formula of Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1) is C16H26N5O6P.
The molecular weight of Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1) is 415.16208 g/mol.
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