1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone

C13H23F3N2O2 — CID 103864852

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-10-5-11(2)7-18(6-10)12(20)8-17(3-4-19)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3
InChIKeyFMBVAEPKSSZCFR-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.35
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 103864852) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID103864852
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-10-5-11(2)7-18(6-10)12(20)8-17(3-4-19)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3
InChIKeyFMBVAEPKSSZCFR-UHFFFAOYSA-N
XLogP1.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-Hydroxyethyl)(propyl)amino)-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 56828380
2-((2-Hydroxyethyl)(propyl)amino)-1-(4-methylpiperidin-1-yl)ethan-1-one
CID 56828381
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
Ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 156799038
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 156799039
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane
CID 156799180
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
CID 178001085
N,N-diethyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794544
N-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]acetamide
CID 45811750
N-(1-cyclopropylethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53531170

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone (CID 103864852) is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone is CC1CC(C)CN(C(=O)CN(CCO)CC(F)(F)F)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is FMBVAEPKSSZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-5-11(2)7-18(6-10)12(20)8-17(3-4-19)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 103864852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).