1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)
TL;DR: 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) (CAS 149848-03-3) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] benzoate
Also Known As: 4-Methyl-alpha-phenyl-1-piperazinepropanol benzoate (ester), [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] benzoate, 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester), 3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYLPROPYL BENZOATE, Benzoic acid 3-(4-methylpiperazin-1-yl)-1-phenylpropyl ester
Technical Specifications
| Molecular Formula | C21H26N2O2 |
| Molecular Weight | 338.19943 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.19943 Da |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
| SMILES | CN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | KAAQYRJCYGRFDW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)
Property Insights of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)
The XLogP value of 3.5 indicates that 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (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
What is the CAS number of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)?
The CAS number of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) is 149848-03-3.
What is the molecular formula of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)?
The molecular formula of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) is C21H26N2O2.
What is the molecular weight of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)?
The molecular weight of 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) is 338.19943 g/mol.
Where can I buy 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)?
You can request a quote for 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester)?
Yes, CoreyChem provides custom synthesis services for 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.