1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C12H21F3N2O — CID 78958001

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1(C)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-3-11(2)4-6-17(7-5-11)10(18)8-16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyLCSCUJRDMTZGCE-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958001) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958001
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1(C)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-3-11(2)4-6-17(7-5-11)10(18)8-16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyLCSCUJRDMTZGCE-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958001) is 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CCC1(C)CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is LCSCUJRDMTZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-11(2)4-6-17(7-5-11)10(18)8-16-9-12(13,14)15/h16H,3-9H2,1-2H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).