![4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine structure](/static/products/391/391957-33-8.png)
4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine
TL;DR: 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine (CAS 391957-33-8) is a chemical compound with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidine
Also Known As: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidine, 4-[(6-bromobenzo[1,3]dioxol-5-yl)methyl]piperidine
| Molecular Formula | C13H16BrNO2 |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 2.7199 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.03644 |
| Heavy Atoms | 17 |
| Complexity | 416.12564 |
Chemical Identifiers
| CAS Number | 391957-33-8 |
|---|---|
| SMILES | C1CNCCC1CC2=CC3=C(C=C2Br)OCO3 |
Product Overview
4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine (CAS 391957-33-8), with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol. IUPAC: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidine.
Chemical Property Profile of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine
Property Insights of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine
The XLogP value of 2.7199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine. With a topological polar surface area (TPSA) of 30.49 Ų, 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine has 1 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 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine?
The CAS number of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine is 391957-33-8.
What is the molecular formula of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine?
The molecular formula of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine is C13H16BrNO2.
What is the molecular weight of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine?
The molecular weight of 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine is 297.04 g/mol.
Where can I buy 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine?
You can request a quote for 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.