ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate

C13H23F3N2O2 — CID 83992638

IUPACethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-3-10-5-11(17-9-13(14,15)16)7-18(6-10)8-12(19)20-4-2/h10-11,17H,3-9H2,1-2H3
InChIKeyXEQCGQKGPTZXQY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate

ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (PubChem CID 83992638) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
PubChem CID83992638
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nameethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-3-10-5-11(17-9-13(14,15)16)7-18(6-10)8-12(19)20-4-2/h10-11,17H,3-9H2,1-2H3
InChIKeyXEQCGQKGPTZXQY-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (CID 83992638) is ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is CCOC(=O)CN1CC(CC)CC(NCC(F)(F)F)C1.
What is the InChIKey of ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The InChIKey is XEQCGQKGPTZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-10-5-11(17-9-13(14,15)16)7-18(6-10)8-12(19)20-4-2/h10-11,17H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83992638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).