1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
TL;DR: 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one (CAS 545354-10-7) is a chemical compound with molecular formula C9H14F3NO and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone
Also Known As: Piperidine,3,5-dimethyl-1- -, 3,5-DIMETHYL-1-(TRIFLUOROACETYL)-PIPERIDINE, 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one, 1-(3,5-Dimethyl-1-Piperidinyl)-2,2,2-Trifluoroethanone, 1-(3,5-dimethyl-1-piperidyl)-2,2,2-trifluoro-ethanone
| Molecular Formula | C9H14F3NO |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.0532 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.10275 |
| Heavy Atoms | 14 |
| Complexity | 216.58719 |
Chemical Identifiers
| CAS Number | 545354-10-7 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C(F)(F)F)C |
Product Overview
1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one (CAS 545354-10-7), with molecular formula C9H14F3NO and molecular weight 209.10 g/mol. IUPAC: 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
Property Insights of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
The XLogP value of 2.0532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one has 0 hydrogen bond donor(s) and 1 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-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one?
The CAS number of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one is 545354-10-7.
What is the molecular formula of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one?
The molecular formula of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one is C9H14F3NO.
What is the molecular weight of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one?
The molecular weight of 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one is 209.10 g/mol.
Where can I buy 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one?
You can request a quote for 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.