2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C13H24F2N2O2 — CID 107485259

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-10-4-3-5-11(2)17(10)13(19)9-16(6-7-18)8-12(14)15/h10-12,18H,3-9H2,1-2H3
InChIKeyQIRKEIISQORWPT-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.34
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 107485259) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID107485259
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-10-4-3-5-11(2)17(10)13(19)9-16(6-7-18)8-12(14)15/h10-12,18H,3-9H2,1-2H3
InChIKeyQIRKEIISQORWPT-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-Dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 56828369
1-Cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one
CID 56875313
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912
2-[Cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 60696879
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 72137291
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-[[(2S)-piperidin-2-yl]methyl]acetamide
CID 163219766
2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 170263814
N-(1-cyclopropylethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53531170
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 53533822
2-[2-Hydroxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-1-(2-methylpiperidin-1-yl)ethanone
CID 60302579
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60496862
2-(3-hydroxypiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60497059

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 107485259) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is QIRKEIISQORWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-10-4-3-5-11(2)17(10)13(19)9-16(6-7-18)8-12(14)15/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 278.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107485259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).