TL;DR: Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride (CAS 158553-45-8) is a chemical compound with molecular formula C14H22Cl2N6 and molecular weight 344.1283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]aniline;dihydrochloride
Also Known As: Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride, 4-(2-(2-(1-Piperidinyl)ethyl)-2H-tetrazol-5-yl)benzenamine dihydrochloride, 4-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]aniline,dihydrochl, 4-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]aniline dihydrochloride, 4-{2-[2-(Piperidin-1-yl)ethyl]-2H-tetrazol-5-yl}aniline--hydrogen chloride (1/2)
| Molecular Formula | C14H22Cl2N6 |
| Molecular Weight | 344.1283 g/mol |
| XLogP | 2.2518 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.1283 Da |
| Heavy Atoms | 22 |
| Complexity | 285.0 |
| SMILES | C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)N.Cl.Cl |
| InChIKey | ZCEGTUHKOJJTOR-UHFFFAOYSA-N |
The XLogP value of 2.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride. Following Lipinski's Rule of Five, Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride has 3 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 Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride is 158553-45-8.
The molecular formula of Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride is C14H22Cl2N6.
The molecular weight of Benzenamine, 4-(2-(2-(1-piperidinyl)ethyl)-2H-tetrazol-5-yl)-, dihydrochloride is 344.1283 g/mol.
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