1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester
TL;DR: 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester (CAS 7012-68-2) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate
Also Known As: alpha-Benzyl-4-methyl-1-piperazineacetic acid methyl ester, methyl 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate, 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester, 5-23-02-00365 (Beilstein Handbook Reference), RefChem:1056461
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 7012-68-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC2=CC=CC=C2)C(=O)OC |
| InChIKey | YOJJHTJTTPDRCW-UHFFFAOYSA-N |
Product Overview
1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester (CAS 7012-68-2), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: methyl 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate.
Chemical Property Profile of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester
Property Insights of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, 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-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester?
The CAS number of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester is 7012-68-2.
What is the molecular formula of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester?
The molecular formula of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester is C15H22N2O2.
What is the molecular weight of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester?
The molecular weight of 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester is 262.17 g/mol.
Where can I buy 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester?
You can request a quote for 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, 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-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.