TL;DR: 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid (CAS 1173680-62-0) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxylic acid
Also Known As: 1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxylic Acid, (S)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxylic acid, 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid
| Molecular Formula | C16H20N2O3 |
| Molecular Weight | 288.1474 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.1474 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | C1CN(CCC1C(=O)O)C(=O)[C@@H]2CC3=CC=CC=C3CN2 |
| InChIKey | IBXWSSPALXIAIA-AWEZNQCLSA-N |
The XLogP value of -0.7 indicates that 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid is 1173680-62-0.
The molecular formula of 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid is C16H20N2O3.
The molecular weight of 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperidine-4-carboxylic acid is 288.1474 g/mol.
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