1-(3,4-Difluorobenzoyl)-4-methylpiperidine
TL;DR: 1-(3,4-Difluorobenzoyl)-4-methylpiperidine (CAS 333744-76-6) is a chemical compound with molecular formula C13H15F2NO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
Also Known As: 1-(3,4-Difluorobenzoyl)-4-methylpiperidine, BAS 02869808, 3,4-difluorophenyl 4-methylpiperidyl ketone, (3,4-Difluorophenyl)(4-methyl-1-piperidinyl)methanone, 1-(3,4-Difluorobenzoyl)-4-methylpiperidine #
| Molecular Formula | C13H15F2NO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.11217 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 333744-76-6 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)F |
| InChIKey | FJYSPQMJFWVGNN-UHFFFAOYSA-N |
Product Overview
1-(3,4-Difluorobenzoyl)-4-methylpiperidine (CAS 333744-76-6), with molecular formula C13H15F2NO and molecular weight 239.11 g/mol. IUPAC: (3,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine
Property Insights of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Difluorobenzoyl)-4-methylpiperidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3,4-Difluorobenzoyl)-4-methylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Difluorobenzoyl)-4-methylpiperidine 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-(3,4-Difluorobenzoyl)-4-methylpiperidine?
The CAS number of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine is 333744-76-6.
What is the molecular formula of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine?
The molecular formula of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine is C13H15F2NO.
What is the molecular weight of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine?
The molecular weight of 1-(3,4-Difluorobenzoyl)-4-methylpiperidine is 239.11 g/mol.
Where can I buy 1-(3,4-Difluorobenzoyl)-4-methylpiperidine?
You can request a quote for 1-(3,4-Difluorobenzoyl)-4-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Difluorobenzoyl)-4-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Difluorobenzoyl)-4-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.