N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H19F3N2S — CID 62840298

IUPACN-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ccsc1
InChIInChI=1S/C13H19F3N2S/c1-10(11-4-7-19-8-11)17-12-2-5-18(6-3-12)9-13(14,15)16/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3
InChIKeyMOBCUODEQAUBCL-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.43
Rot. Bonds4

About N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 62840298) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID62840298
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ccsc1
InChIInChI=1S/C13H19F3N2S/c1-10(11-4-7-19-8-11)17-12-2-5-18(6-3-12)9-13(14,15)16/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3
InChIKeyMOBCUODEQAUBCL-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 62840298) is N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is MOBCUODEQAUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-10(11-4-7-19-8-11)17-12-2-5-18(6-3-12)9-13(14,15)16/h4,7-8,10,12,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 292.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 62840298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).