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

C10H17F3N2O2 — CID 126521918

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-14(7-10(11,12)13)8-3-5-15(6-4-8)9(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyGTVJKAOMYXSBAY-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.01
Rot. Bonds3

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

4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (PubChem CID 126521918) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
PubChem CID126521918
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-14(7-10(11,12)13)8-3-5-15(6-4-8)9(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyGTVJKAOMYXSBAY-UHFFFAOYSA-N
XLogP2.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (CID 126521918) is 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is CCN(CC(F)(F)F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is GTVJKAOMYXSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-14(7-10(11,12)13)8-3-5-15(6-4-8)9(16)17/h8H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 126521918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).