1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C12H21F3N2O2 — CID 103205312

IUPAC1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCC1CN(C(=O)COCC(F)(F)F)CCC1NC
InChIInChI=1S/C12H21F3N2O2/c1-3-9-6-17(5-4-10(9)16-2)11(18)7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyUOTBYUIULGWCGR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.41
Rot. Bonds5

About 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103205312) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103205312
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCC1CN(C(=O)COCC(F)(F)F)CCC1NC
InChIInChI=1S/C12H21F3N2O2/c1-3-9-6-17(5-4-10(9)16-2)11(18)7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyUOTBYUIULGWCGR-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103205312) is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CCC1CN(C(=O)COCC(F)(F)F)CCC1NC.
What is the InChIKey of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is UOTBYUIULGWCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-9-6-17(5-4-10(9)16-2)11(18)7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 282.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103205312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).