ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

C12H18F3NO4 — CID 66988010

IUPACethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(CC)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-3-11(9(17)19-4-2)5-7-16(8-6-11)20-10(18)12(13,14)15/h3-8H2,1-2H3
InChIKeyQNZYVUAAIRDLJP-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.06
Rot. Bonds4

About ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (PubChem CID 66988010) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
PubChem CID66988010
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Nameethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(CC)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-3-11(9(17)19-4-2)5-7-16(8-6-11)20-10(18)12(13,14)15/h3-8H2,1-2H3
InChIKeyQNZYVUAAIRDLJP-UHFFFAOYSA-N
XLogP2.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-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-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 19622894
Ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
Ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 59527815
Ethyl 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylate
CID 67263556
[4-(Methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
[4-(5-Methoxypentoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69679516
Ethyl 4-butyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 69694123
Methyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 69704932
Ethyl 1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carboxylate
CID 117934860
Ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 135152147
Ethyl 1-fluoro-4-methylpiperidine-4-carboxylate
CID 151731264
Methyl 1-(2-ethoxy-2-oxoethyl)-4-(trifluoromethyl)piperidine-4-carboxylate
CID 165145367

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The IUPAC name of ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (CID 66988010) is ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is CCOC(=O)C1(CC)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The InChIKey is QNZYVUAAIRDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-3-11(9(17)19-4-2)5-7-16(8-6-11)20-10(18)12(13,14)15/h3-8H2,1-2H3.
What are the key properties of ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is sourced from PubChem (CID 66988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).