TL;DR: Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- (CAS 126921-48-0) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-piperidin-1-ylethyl)isoquinoline
Also Known As: Isoquinoline, 1-(2-(1-piperidinyl)ethyl)-, 1-(2-(1-Piperidinyl)ethyl)isoquinoline, 1-(2-(PIPERIDIN-1-YL)ETHYL)ISOQUINOLINE, 1-(2-piperidin-1-ylethyl)isoquinoline, 1H-Indole-3-carbonylchloride,1-methyl
| Molecular Formula | C16H20N2 |
| Molecular Weight | 240.16264 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.16264 Da |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
| SMILES | C1CCN(CC1)CCC2=NC=CC3=CC=CC=C32 |
| InChIKey | LOYAWKCTCLZNGA-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.1 Ų, Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- is 126921-48-0.
The molecular formula of Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- is C16H20N2.
The molecular weight of Isoquinoline, 1-(2-(1-piperidinyl)ethyl)- is 240.16264 g/mol.
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