1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride
TL;DR: 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride (CAS 1052416-96-2) is a chemical compound with molecular formula C21H34ClNO2 and molecular weight 367.2278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate;hydrochloride
Also Known As: (1-methyl-3-piperidyl) 3,5-ditert-butylbenzoate Hydrochloride, (1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate hydrochloride, 1-METHYLPIPERIDIN-3-YL 3,5-DI-TERT-BUTYLBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C21H34ClNO2 |
| Molecular Weight | 367.2278 g/mol |
| XLogP | 4.9544 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.2278 Da |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCCN(C2)C)C(C)(C)C.Cl |
| InChIKey | ZDUKEQBAUWTGDN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride
Property Insights of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride
The XLogP value of 4.9544 indicates that 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride?
The CAS number of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride is 1052416-96-2.
What is the molecular formula of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride?
The molecular formula of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride is C21H34ClNO2.
What is the molecular weight of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride?
The molecular weight of 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride is 367.2278 g/mol.
Where can I buy 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride?
You can request a quote for 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Methylpiperidin-3-YL 3,5-DI-tert-butylbenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.