1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C13H23F3N2O — CID 79261789

IUPAC1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1(CC)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-12(4-2)5-7-18(8-6-12)11(19)9-17-10-13(14,15)16/h17H,3-10H2,1-2H3
InChIKeyQZPZZEKXFOUNJG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

About 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79261789) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79261789
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1(CC)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-12(4-2)5-7-18(8-6-12)11(19)9-17-10-13(14,15)16/h17H,3-10H2,1-2H3
InChIKeyQZPZZEKXFOUNJG-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 79261789) is 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CCC1(CC)CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is QZPZZEKXFOUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-12(4-2)5-7-18(8-6-12)11(19)9-17-10-13(14,15)16/h17H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79261789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).