1-(3,4-Dimethoxybenzoyl)piperazine
TL;DR: 1-(3,4-Dimethoxybenzoyl)piperazine (CAS 81839-52-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-piperazin-1-ylmethanone
Also Known As: 1-(3,4-DIMETHOXYBENZOYL)PIPERAZINE, N-(3,4-dimethoxybenzoyl)piperzine, 4-(3,4-dimethoxybenzoyl)piperazine, (3,4-dimethoxyphenyl)(piperazin-1-yl)methanone, Piperazine, 1-(3,4-dimethoxybenzoyl)-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 0.7492 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 428.24457 |
Chemical Identifiers
| CAS Number | 81839-52-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCNCC2)OC |
Product Overview
1-(3,4-Dimethoxybenzoyl)piperazine (CAS 81839-52-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: (3,4-dimethoxyphenyl)-piperazin-1-ylmethanone.
Chemical Property Profile of 1-(3,4-Dimethoxybenzoyl)piperazine
Property Insights of 1-(3,4-Dimethoxybenzoyl)piperazine
The XLogP value of 0.7492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxybenzoyl)piperazine. With a topological polar surface area (TPSA) of 50.8 Ų, 1-(3,4-Dimethoxybenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxybenzoyl)piperazine has 1 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-(3,4-Dimethoxybenzoyl)piperazine?
The CAS number of 1-(3,4-Dimethoxybenzoyl)piperazine is 81839-52-3.
What is the molecular formula of 1-(3,4-Dimethoxybenzoyl)piperazine?
The molecular formula of 1-(3,4-Dimethoxybenzoyl)piperazine is C13H18N2O3.
What is the molecular weight of 1-(3,4-Dimethoxybenzoyl)piperazine?
The molecular weight of 1-(3,4-Dimethoxybenzoyl)piperazine is 250.13 g/mol.
Where can I buy 1-(3,4-Dimethoxybenzoyl)piperazine?
You can request a quote for 1-(3,4-Dimethoxybenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxybenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxybenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.