3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
TL;DR: 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester (CAS 101931-79-7) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate
Also Known As: 1-Methyl-4-piperidyl di(1-propynyl)glycolate, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester, (1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate, 1-METHYLPIPERIDIN-4-YL 2-HYDROXY-2-(PROP-1-YN-1-YL)PENT-3-YNOATE
Technical Specifications
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
| SMILES | CC#CC(C#CC)(C(=O)OC1CCN(CC1)C)O |
| InChIKey | PJWQCCFSMZZYBL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
Property Insights of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester has 1 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 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The CAS number of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is 101931-79-7.
What is the molecular formula of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The molecular formula of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is C14H19NO3.
What is the molecular weight of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The molecular weight of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is 249.13649 g/mol.
Where can I buy 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
You can request a quote for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.