3-Piperidinecarboxylic acid, 1-methyl-, allyl ester
TL;DR: 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester (CAS 54828-10-3) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 1-methylpiperidine-3-carboxylate
Also Known As: 1-Methylnipecotinic acid allyl ester, 1-Methyl-nipecotinsaeureallylester, 1-Methyl-nipecotinsaeureallylester [German], 1-Methyl-3-piperidinecarboxylic acid allyl ester, allyl 1-methylpiperidine-3-carboxylate
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 54828-10-3 |
|---|---|
| SMILES | CN1CCCC(C1)C(=O)OCC=C |
| InChIKey | SLDVTJPPUYOXGD-UHFFFAOYSA-N |
Product Overview
3-Piperidinecarboxylic acid, 1-methyl-, allyl ester (CAS 54828-10-3), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: prop-2-enyl 1-methylpiperidine-3-carboxylate.
Chemical Property Profile of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester
Property Insights of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester has 0 hydrogen bond donor(s) and 3 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 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester?
The CAS number of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester is 54828-10-3.
What is the molecular formula of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester?
The molecular formula of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester is C10H17NO2.
What is the molecular weight of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester?
The molecular weight of 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester is 183.13 g/mol.
Where can I buy 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester?
You can request a quote for 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Piperidinecarboxylic acid, 1-methyl-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.