ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C12H21F3N2O2 — CID 114509137

IUPACethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCNCC1CC
InChIInChI=1S/C12H21F3N2O2/c1-3-9-7-16-6-5-11(9,10(18)19-4-2)17-8-12(13,14)15/h9,16-17H,3-8H2,1-2H3
InChIKeyIRZOHOCXBCPNBY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds5

About ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 114509137) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID114509137
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCNCC1CC
InChIInChI=1S/C12H21F3N2O2/c1-3-9-7-16-6-5-11(9,10(18)19-4-2)17-8-12(13,14)15/h9,16-17H,3-8H2,1-2H3
InChIKeyIRZOHOCXBCPNBY-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43782288
Methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
Ethyl 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexanoate
CID 54892477
Methyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892519
Methyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892758
Methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892848
Ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893090
Ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893135
Methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893179
Ethyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 60997638
Ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 60997872
Methyl 4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 61243926

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 114509137) is ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCNCC1CC.
What is the InChIKey of ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is IRZOHOCXBCPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-9-7-16-6-5-11(9,10(18)19-4-2)17-8-12(13,14)15/h9,16-17H,3-8H2,1-2H3.
What are the key properties of ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 114509137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).