3-Methyl-piperidine-4-carboxylic acid tert-butyl ester
TL;DR: 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester (CAS 1000340-58-8) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-methylpiperidine-4-carboxylate
Also Known As: Tert-butyl 3-methylpiperidine-4-carboxylate, 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester, Tert-butyl3-methylpiperidine-4-carboxylate
Technical Specifications
| Molecular Formula | C11H21NO2 |
| Molecular Weight | 199.15723 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.15723 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | CC1CNCCC1C(=O)OC(C)(C)C |
| InChIKey | AVBWGECREPOGMS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester
Property Insights of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester 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 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester?
The CAS number of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester is 1000340-58-8.
What is the molecular formula of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester?
The molecular formula of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester is C11H21NO2.
What is the molecular weight of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester?
The molecular weight of 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester is 199.15723 g/mol.
Where can I buy 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester?
You can request a quote for 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-piperidine-4-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.