1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C10H17F3N2O2 — CID 83992102

IUPAC1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C10H17F3N2O2/c1-2-15-4-7(9(16)17)3-8(5-15)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyDUECNSNDXKHCEZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds4

About 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992102) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992102
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C10H17F3N2O2/c1-2-15-4-7(9(16)17)3-8(5-15)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyDUECNSNDXKHCEZ-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic 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 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992102) is 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is CCN1CC(NCC(F)(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is DUECNSNDXKHCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-15-4-7(9(16)17)3-8(5-15)14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).