1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C11H19F3N2O2 — CID 78958203

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOCC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyARKUDAJSZSPMEJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958203) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958203
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOCC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyARKUDAJSZSPMEJ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958203) is 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is COCC1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is ARKUDAJSZSPMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).