2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

C12H22F2N2O2 — CID 107485164

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(CCO)CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-10-2-4-16(5-3-10)12(18)9-15(6-7-17)8-11(13)14/h10-11,17H,2-9H2,1H3
InChIKeyLPIZBNXTRZOWTO-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 107485164) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID107485164
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(CCO)CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-10-2-4-16(5-3-10)12(18)9-15(6-7-17)8-11(13)14/h10-11,17H,2-9H2,1H3
InChIKeyLPIZBNXTRZOWTO-UHFFFAOYSA-N
XLogP0.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56788082
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
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156798850
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 107485164) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is LPIZBNXTRZOWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-10-2-4-16(5-3-10)12(18)9-15(6-7-17)8-11(13)14/h10-11,17H,2-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.80, 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-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107485164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).