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

C11H19F3N2O2 — CID 103205301

IUPAC1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCNC1CCN(C(=O)COCC(F)(F)F)CC1C
InChIInChI=1S/C11H19F3N2O2/c1-8-5-16(4-3-9(8)15-2)10(17)6-18-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyCQWSINLTFTVAFQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds4

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

1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103205301) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103205301
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCNC1CCN(C(=O)COCC(F)(F)F)CC1C
InChIInChI=1S/C11H19F3N2O2/c1-8-5-16(4-3-9(8)15-2)10(17)6-18-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyCQWSINLTFTVAFQ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103205301) is 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CNC1CCN(C(=O)COCC(F)(F)F)CC1C.
What is the InChIKey of 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CQWSINLTFTVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8-5-16(4-3-9(8)15-2)10(17)6-18-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103205301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).