4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

C11H19F3N2O3 — CID 69372383

IUPAC4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCOCCN(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O3/c1-19-7-6-16(8-11(12,13)14)9-2-4-15(5-3-9)10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyJQWZOZHHZBZXFU-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.64
Rot. Bonds5

About 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (PubChem CID 69372383) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
PubChem CID69372383
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCOCCN(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O3/c1-19-7-6-16(8-11(12,13)14)9-2-4-15(5-3-9)10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyJQWZOZHHZBZXFU-UHFFFAOYSA-N
XLogP1.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (CID 69372383) is 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is COCCN(CC(F)(F)F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is JQWZOZHHZBZXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-19-7-6-16(8-11(12,13)14)9-2-4-15(5-3-9)10(17)18/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 69372383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).