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

C13H20F3NO4 — CID 86985429

IUPACethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO4/c1-3-20-12(19)10-4-6-17(7-5-10)11(18)9(2)21-8-13(14,15)16/h9-10H,3-8H2,1-2H3
InChIKeyRIZDADORPWIDGV-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.76
Rot. Bonds5

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

ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 86985429) has the molecular formula C13H20F3NO4 and a molecular weight of 311.30 g/mol. Its IUPAC name is ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate
PubChem CID86985429
Molecular FormulaC13H20F3NO4
Molecular Weight311.30 g/mol
Exact Mass311.13
IUPAC Nameethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO4/c1-3-20-12(19)10-4-6-17(7-5-10)11(18)9(2)21-8-13(14,15)16/h9-10H,3-8H2,1-2H3
InChIKeyRIZDADORPWIDGV-UHFFFAOYSA-N
XLogP1.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
Methyl 2-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethoxy]acetate
CID 137980604
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506
4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
CID 60705855
[2-(Dimethylamino)-2-oxo-1-piperidin-4-ylethyl] 2,2,2-trifluoroacetate
CID 68471261
1-O-tert-butyl 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate
CID 70958184
1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate
CID 70958375

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate (CID 86985429) is ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OCC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is RIZDADORPWIDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO4/c1-3-20-12(19)10-4-6-17(7-5-10)11(18)9(2)21-8-13(14,15)16/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 1.76, 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)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 86985429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).