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

C11H19F3N2O — CID 78957861

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(C)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-10(2)3-5-16(6-4-10)9(17)7-15-8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyPJUIRYJRIMIBFT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds3

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

1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78957861) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78957861
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(C)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-10(2)3-5-16(6-4-10)9(17)7-15-8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyPJUIRYJRIMIBFT-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78957861) is 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1(C)CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is PJUIRYJRIMIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2)3-5-16(6-4-10)9(17)7-15-8-11(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 252.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78957861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).