1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one

C8H13F3N2O — CID 45100045

IUPAC1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
SMILESCNC1CCC(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C8H13F3N2O/c1-12-5-3-4-6(8(9,10)11)13(2)7(5)14/h5-6,12H,3-4H2,1-2H3
InChIKeyNEQJKDXYNBNLSP-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds1

About 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one

1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one (PubChem CID 45100045) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
PubChem CID45100045
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
SMILESCNC1CCC(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C8H13F3N2O/c1-12-5-3-4-6(8(9,10)11)13(2)7(5)14/h5-6,12H,3-4H2,1-2H3
InChIKeyNEQJKDXYNBNLSP-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one (CID 45100045) is 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one is CNC1CCC(C(F)(F)F)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is NEQJKDXYNBNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-12-5-3-4-6(8(9,10)11)13(2)7(5)14/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one?
1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 45100045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).