TL;DR: 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate (CAS 101932-04-1) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate
Also Known As: 1-Methyl-4-piperidyl alpha-isopropenylcyclopentaneglycolate, 1-METHYLPIPERIDIN-4-YL 2-CYCLOPENTYL-2-HYDROXY-3-METHYLBUT-3-ENOATE, Cyclopentaneglycolic acid, alpha-isopropenyl-, 1-methyl-4-piperidyl ester, (1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate, alpha-Isopropenyl-alpha-hydroxycyclopentaneacetic acid 1-methyl-4-piperidyl ester
| Molecular Formula | C16H27NO3 |
| Molecular Weight | 281.1991 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1991 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | CC(=C)C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | YXQHNBSCRZRLDI-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate is 101932-04-1.
The molecular formula of 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate is C16H27NO3.
The molecular weight of 1-Methylpiperidin-4-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate is 281.1991 g/mol.
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