ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C12H21F3N2O2 — CID 54893090

IUPACethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(CC)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-17-7-5-11(6-8-17,10(18)19-4-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyHJUOUDZOLWEXQZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds5

About ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 54893090) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID54893090
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nameethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(CC)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-17-7-5-11(6-8-17,10(18)19-4-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyHJUOUDZOLWEXQZ-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate 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 ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 54893090) is ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCN(CC)CC1.
What is the InChIKey of ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is HJUOUDZOLWEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-17-7-5-11(6-8-17,10(18)19-4-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54893090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).