2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

C10H14F3NO3 — CID 55057513

IUPAC2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CC(F)(F)F)C(C)C1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-5-3-7(15)14(4-10(11,12)13)6(2)8(5)9(16)17/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyJAWYSMQIMLYITH-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.51
Rot. Bonds2

About 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (PubChem CID 55057513) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
PubChem CID55057513
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CC(F)(F)F)C(C)C1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-5-3-7(15)14(4-10(11,12)13)6(2)8(5)9(16)17/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyJAWYSMQIMLYITH-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (CID 55057513) is 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is CC1CC(=O)N(CC(F)(F)F)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The InChIKey is JAWYSMQIMLYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-5-3-7(15)14(4-10(11,12)13)6(2)8(5)9(16)17/h5-6,8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55057513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).