1-(3-Methyl-4-nitrophenyl)piperidine
TL;DR: 1-(3-Methyl-4-nitrophenyl)piperidine (CAS 120534-11-4) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methyl-4-nitrophenyl)piperidine
Also Known As: 1-(3-methyl-4-nitrophenyl)piperidine, N-(3-methyl-4-nitrophenyl)piperidine, 1-{4-nitro-3-methylphenyl}piperidine, 1-(3-methyl-4-nitro-phenyl)piperidine
Technical Specifications
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.12119 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.12119 Da |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
| SMILES | CC1=C(C=CC(=C1)N2CCCCC2)[N+](=O)[O-] |
| InChIKey | ZOZCXFUMHHBNRH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methyl-4-nitrophenyl)piperidine
Property Insights of 1-(3-Methyl-4-nitrophenyl)piperidine
The XLogP value of 3.8 indicates that 1-(3-Methyl-4-nitrophenyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 1-(3-Methyl-4-nitrophenyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-4-nitrophenyl)piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Methyl-4-nitrophenyl)piperidine?
The CAS number of 1-(3-Methyl-4-nitrophenyl)piperidine is 120534-11-4.
What is the molecular formula of 1-(3-Methyl-4-nitrophenyl)piperidine?
The molecular formula of 1-(3-Methyl-4-nitrophenyl)piperidine is C12H16N2O2.
What is the molecular weight of 1-(3-Methyl-4-nitrophenyl)piperidine?
The molecular weight of 1-(3-Methyl-4-nitrophenyl)piperidine is 220.12119 g/mol.
Where can I buy 1-(3-Methyl-4-nitrophenyl)piperidine?
You can request a quote for 1-(3-Methyl-4-nitrophenyl)piperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methyl-4-nitrophenyl)piperidine?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methyl-4-nitrophenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.