1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine (CAS 355392-87-9) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
Also Known As: BAS 01041991, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazino](3-pyridyl)methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine, (4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyridin-3-yl-methanone
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 355392-87-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4 |
| InChIKey | CKEVQJNBTZDXDZ-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine (CAS 355392-87-9), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine. With a topological polar surface area (TPSA) of 54.9 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine is 355392-87-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine is C18H19N3O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine is 325.14 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.