ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate

C12H18F3NO4 — CID 86990219

IUPACethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-2-20-11(18)9-3-5-16(6-4-9)10(17)7-19-8-12(13,14)15/h9H,2-8H2,1H3
InChIKeyVGHUGUJEHAFJOO-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.37
Rot. Bonds5

About ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate (PubChem CID 86990219) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
PubChem CID86990219
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Nameethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-2-20-11(18)9-3-5-16(6-4-9)10(17)7-19-8-12(13,14)15/h9H,2-8H2,1H3
InChIKeyVGHUGUJEHAFJOO-UHFFFAOYSA-N
XLogP1.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]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

Related Compounds

Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506
Ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
CID 58282570
4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
CID 60705855
1-(1-Trifluoromethyl-cyclopropanecarbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 66865273
Ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
CID 66889290
Ethyl 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-carboxylate
CID 90018229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate (CID 86990219) is ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is VGHUGUJEHAFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-2-20-11(18)9-3-5-16(6-4-9)10(17)7-19-8-12(13,14)15/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 86990219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).