4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate
TL;DR: 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate (CAS 101914-04-9) 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.
(4-methylpiperidin-4-yl) 2-hydroxy-2-prop-2-ynylheptanoate
Also Known As: 1-Methyl-4-piperidyl-n-amyl(1-propynyl)glycolate, 4-methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate, HEPTANOIC ACID, 2-HYDROXY-2-(2-PROPYNYL)-, 1-METHYL-4-PIPERIDYL ESTER, (4-methylpiperidin-4-yl) 2-hydroxy-2-prop-2-ynylheptanoate, (4-Methylpiperidin-4-yl)2-hydroxy-2-prop-2-ynylheptanoate
Technical Specifications
| Molecular Formula | C16H27NO3 |
| Molecular Weight | 281.1991 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.1991 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | CCCCCC(CC#C)(C(=O)OC1(CCNCC1)C)O |
| InChIKey | CVFSIFYGTFVJEQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate
Property Insights of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate. With a topological polar surface area (TPSA) of 58.6 Ų, 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate?
The CAS number of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate is 101914-04-9.
What is the molecular formula of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate?
The molecular formula of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate is C16H27NO3.
What is the molecular weight of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate?
The molecular weight of 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate is 281.1991 g/mol.
Where can I buy 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate?
You can request a quote for 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate?
Yes, CoreyChem provides custom synthesis services for 4-Methylpiperidin-4-yl 2-hydroxy-2-(prop-2-yn-1-yl)heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.