ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

C14H26F2N2O2 — CID 156799038

IUPACethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CC(O)C2)CC1(F)F
InChIInChI=1S/C12H20F2N2O2.C2H6/c1-2-9-3-4-15(8-12(9,13)14)7-11(18)16-5-10(17)6-16;1-2/h9-10,17H,2-8H2,1H3;1-2H3
InChIKeyPJQNECVPHFBZQS-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.58
Rot. Bonds3

About ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 156799038) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID156799038
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nameethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CC(O)C2)CC1(F)F
InChIInChI=1S/C12H20F2N2O2.C2H6/c1-2-9-3-4-15(8-12(9,13)14)7-11(18)16-5-10(17)6-16;1-2/h9-10,17H,2-8H2,1H3;1-2H3
InChIKeyPJQNECVPHFBZQS-UHFFFAOYSA-N
XLogP1.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-Hydroxyethyl)(propyl)amino)-1-(4-methylpiperidin-1-yl)ethan-1-one
CID 56828381
1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 156799039
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane
CID 156799167
Potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane
CID 156799311
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
CID 172511234
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 53605602
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 53619393
2-[2-Hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78896994
1-(Cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
CID 86792576
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95327767
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95327768

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 156799038) is ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is CC.CCC1CCN(CC(=O)N2CC(O)C2)CC1(F)F.
What is the InChIKey of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is PJQNECVPHFBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2.C2H6/c1-2-9-3-4-15(8-12(9,13)14)7-11(18)16-5-10(17)6-16;1-2/h9-10,17H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 292.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 156799038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).