1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine

C13H24F3N3S — CID 114628576

IUPAC1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C13H24F3N3S/c14-13(15,16)11-19-7-5-18(6-8-19)9-10-20-12-1-3-17-4-2-12/h12,17H,1-11H2
InChIKeyVDCHZCYZNYSINB-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 114628576) has the molecular formula C13H24F3N3S and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID114628576
Molecular FormulaC13H24F3N3S
Molecular Weight311.42 g/mol
Exact Mass311.16
IUPAC Name1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C13H24F3N3S/c14-13(15,16)11-19-7-5-18(6-8-19)9-10-20-12-1-3-17-4-2-12/h12,17H,1-11H2
InChIKeyVDCHZCYZNYSINB-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 114628576) is 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CCSC2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VDCHZCYZNYSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3S/c14-13(15,16)11-19-7-5-18(6-8-19)9-10-20-12-1-3-17-4-2-12/h12,17H,1-11H2.
What are the key properties of 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 311.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 114628576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).