1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine
TL;DR: 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine (CAS 329940-88-7) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
Also Known As: 1-{4-Nitro-3-methylbenzoyl}, 1-{4-nitro-3-methylbenzoyl}-3,5-dimethylpiperidine, BAS 00785268, 3,5-dimethylpiperidyl 3-methyl-4-nitrophenyl ketone, (3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 3.02132 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 531.9202 |
Chemical Identifiers
| CAS Number | 329940-88-7 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C |
Product Overview
1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine (CAS 329940-88-7), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: (3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine
Property Insights of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine
The XLogP value of 3.02132 indicates that 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine. Following Lipinski's Rule of Five, 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine 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
Frequently Asked Questions
What is the CAS number of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine?
The CAS number of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine is 329940-88-7.
What is the molecular formula of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine?
The molecular formula of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine is C15H20N2O3.
What is the molecular weight of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine?
The molecular weight of 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine is 276.15 g/mol.
Where can I buy 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine?
You can request a quote for 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Nitro-3-methylbenzoyl}-3,5-dimethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.