3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid

C11H18F3NO3 — CID 55145766

IUPAC3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESCCOC1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c1-2-18-8-3-5-15(6-4-8)9(7-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyNUADSOWHNCJPDY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds5

About 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid

3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 55145766) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
PubChem CID55145766
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESCCOC1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c1-2-18-8-3-5-15(6-4-8)9(7-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyNUADSOWHNCJPDY-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid (CID 55145766) is 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid is CCOC1CCN(C(CC(=O)O)C(F)(F)F)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is NUADSOWHNCJPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-18-8-3-5-15(6-4-8)9(7-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55145766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).