TL;DR: 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) (CAS 63957-04-0) is a chemical compound with molecular formula C22H26ClNO2 and molecular weight 371.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,2,6-trimethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride
Also Known As: 1,2,6-Trimethyl-4-piperidyl 9-fluorenecarboxylate hydrochloride, FLUORENE-9-CARBOXYLIC ACID, 4-(1,2,6-TRIMETHYLPIPERIDYL) ESTER, HYDROCHLORIDE, (1,2,6-trimethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride, (1,2,6-Trimethylpiperidin-1-ium-4-yl)9h-fluorene-9-carboxylate chloride, 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C22H26ClNO2 |
| Molecular Weight | 371.1652 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1652 Da |
| Heavy Atoms | 26 |
| Complexity | 458.0 |
| SMILES | CC1CC(CC([NH+]1C)C)OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24.[Cl-] |
| InChIKey | LBFGUYIPERWUIL-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) 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 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) is 63957-04-0.
The molecular formula of 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) is C22H26ClNO2.
The molecular weight of 1,2,6-Trimethylpiperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1) is 371.1652 g/mol.
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