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

C11H15F3N2S — CID 83992381

IUPAC1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CCCN(c2ccsc2)C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-15-9-2-1-4-16(6-9)10-3-5-17-7-10/h3,5,7,9,15H,1-2,4,6,8H2
InChIKeyMYXWMFQYJFBMJM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds3

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

1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992381) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992381
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CCCN(c2ccsc2)C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-15-9-2-1-4-16(6-9)10-3-5-17-7-10/h3,5,7,9,15H,1-2,4,6,8H2
InChIKeyMYXWMFQYJFBMJM-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992381) is 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is FC(F)(F)CNC1CCCN(c2ccsc2)C1.
What is the InChIKey of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is MYXWMFQYJFBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)8-15-9-2-1-4-16(6-9)10-3-5-17-7-10/h3,5,7,9,15H,1-2,4,6,8H2.
What are the key properties of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 264.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).