1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine

C12H16F3N3S — CID 11725490

IUPAC1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCSc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-2-19-11-9(12(13,14)15)3-4-10(17-11)18-7-5-16-6-8-18/h3-4,16H,2,5-8H2,1H3
InChIKeyGGIPYRBPIJCYSD-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.62
Rot. Bonds3

About 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11725490) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11725490
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCSc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-2-19-11-9(12(13,14)15)3-4-10(17-11)18-7-5-16-6-8-18/h3-4,16H,2,5-8H2,1H3
InChIKeyGGIPYRBPIJCYSD-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11725490) is 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine is CCSc1nc(N2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is GGIPYRBPIJCYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c1-2-19-11-9(12(13,14)15)3-4-10(17-11)18-7-5-16-6-8-18/h3-4,16H,2,5-8H2,1H3.
What are the key properties of 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 291.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11725490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).