![1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine structure](/static/products/792/792929-53-4.png)
1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine
TL;DR: 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine (CAS 792929-53-4) is a chemical compound with molecular formula C17H26N4O2 and molecular weight 318.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine
Also Known As: 1-methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine, AT-057/43319613, 1-methyl-4-[1-(3-nitrobenzyl)-4-piperidinyl]piperazine, 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine, 1-METHYL-4-[1-(3-NITROBENZYL)-4-PIPERIDYL]PIPERAZINE
| Molecular Formula | C17H26N4O2 |
|---|---|
| Molecular Weight | 318.21 g/mol |
| LogP | 1.8066 |
| Topological Polar Surface Area | 52.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.20557 |
| Heavy Atoms | 23 |
| Complexity | 535.14984 |
Chemical Identifiers
| CAS Number | 792929-53-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine (CAS 792929-53-4), with molecular formula C17H26N4O2 and molecular weight 318.21 g/mol. IUPAC: 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine.
Chemical Property Profile of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine
Property Insights of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine
The XLogP value of 1.8066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine. With a topological polar surface area (TPSA) of 52.86 Ų, 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]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-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine?
The CAS number of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine is 792929-53-4.
What is the molecular formula of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine?
The molecular formula of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine is C17H26N4O2.
What is the molecular weight of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine?
The molecular weight of 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine is 318.21 g/mol.
Where can I buy 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine?
You can request a quote for 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[1-(3-nitrobenzyl)piperidin-4-yl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.