5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C13H19F3N2S — CID 83992383

IUPAC5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C13H19F3N2S/c1-2-10-5-11(17-9-13(14,15)16)7-18(6-10)12-3-4-19-8-12/h3-4,8,10-11,17H,2,5-7,9H2,1H3
InChIKeyFBKHPBFZWKEDNQ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.50
Rot. Bonds4

About 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992383) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992383
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C13H19F3N2S/c1-2-10-5-11(17-9-13(14,15)16)7-18(6-10)12-3-4-19-8-12/h3-4,8,10-11,17H,2,5-7,9H2,1H3
InChIKeyFBKHPBFZWKEDNQ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992383) is 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1.
What is the InChIKey of 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is FBKHPBFZWKEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-10-5-11(17-9-13(14,15)16)7-18(6-10)12-3-4-19-8-12/h3-4,8,10-11,17H,2,5-7,9H2,1H3.
What are the key properties of 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 292.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).