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

C12H17F3N2S — CID 83992382

IUPAC5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C12H17F3N2S/c1-9-4-10(16-8-12(13,14)15)6-17(5-9)11-2-3-18-7-11/h2-3,7,9-10,16H,4-6,8H2,1H3
InChIKeyYYLVDZOLSROODD-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.11
Rot. Bonds3

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

5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992382) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992382
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C12H17F3N2S/c1-9-4-10(16-8-12(13,14)15)6-17(5-9)11-2-3-18-7-11/h2-3,7,9-10,16H,4-6,8H2,1H3
InChIKeyYYLVDZOLSROODD-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992382) is 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CC1CC(NCC(F)(F)F)CN(c2ccsc2)C1.
What is the InChIKey of 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is YYLVDZOLSROODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-9-4-10(16-8-12(13,14)15)6-17(5-9)11-2-3-18-7-11/h2-3,7,9-10,16H,4-6,8H2,1H3.
What are the key properties of 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 278.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).