1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine
TL;DR: 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine (CAS 893765-34-9) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-nitro-1,3-benzodioxol-5-yl)piperidine
Also Known As: 1-(6-nitro-1,3-benzodioxol-5-yl)piperidine, 1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)piperidine, piperidine, 1-(6-nitro-1,3-benzodioxol-5-yl)-, 1-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)PIPERIDINE, 5-nitro-6-piperidyl-2H-benzo[d]1,3-dioxolene
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.3138 |
| Topological Polar Surface Area | 64.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 483.2109 |
Chemical Identifiers
| CAS Number | 893765-34-9 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3 |
Product Overview
1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine (CAS 893765-34-9), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 1-(6-nitro-1,3-benzodioxol-5-yl)piperidine.
Chemical Property Profile of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine
Property Insights of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine
The XLogP value of 2.3138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine. The TPSA of 64.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine. Following Lipinski's Rule of Five, 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine 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-(6-Nitro-1,3-benzodioxol-5-yl)piperidine?
The CAS number of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine is 893765-34-9.
What is the molecular formula of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine?
The molecular formula of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine is C12H14N2O4.
What is the molecular weight of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine?
The molecular weight of 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine is 250.10 g/mol.
Where can I buy 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine?
You can request a quote for 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.