1-N-Boc-4-Piperidinecarboxylic acid methyl ester
TL;DR: 1-N-Boc-4-Piperidinecarboxylic acid methyl ester (CAS 2990-52-5) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
Also Known As: N-Boc-piperidine-4-carboxylic acid methyl ester, 1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate, null, zlchem 373, Methyl N-Boc-4-piperidinecarboxylate
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 2990-52-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC |
| InChIKey | PTZNCCIULVXFIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-N-Boc-4-Piperidinecarboxylic acid methyl ester (CAS 2990-52-5), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate.
Chemical Property Profile of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester
Property Insights of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N-Boc-4-Piperidinecarboxylic acid methyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, 1-N-Boc-4-Piperidinecarboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-N-Boc-4-Piperidinecarboxylic acid methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester?
The CAS number of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester is 2990-52-5.
What is the molecular formula of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester?
The molecular formula of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester is C12H21NO4.
What is the molecular weight of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester?
The molecular weight of 1-N-Boc-4-Piperidinecarboxylic acid methyl ester is 243.15 g/mol.
Where can I buy 1-N-Boc-4-Piperidinecarboxylic acid methyl ester?
You can request a quote for 1-N-Boc-4-Piperidinecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-Boc-4-Piperidinecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-N-Boc-4-Piperidinecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.