1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine

C15H15F3N4O — CID 133488140

IUPAC1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESFC(F)(F)Oc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)23-12-4-5-14(20-11-12)22-9-7-21(8-10-22)13-3-1-2-6-19-13/h1-6,11H,7-10H2
InChIKeyMVZIWHWYVNOZDK-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.70
Rot. Bonds3

About 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine

1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (PubChem CID 133488140) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
PubChem CID133488140
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESFC(F)(F)Oc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)23-12-4-5-14(20-11-12)22-9-7-21(8-10-22)13-3-1-2-6-19-13/h1-6,11H,7-10H2
InChIKeyMVZIWHWYVNOZDK-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
CID 133488279
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 133490283
2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
CID 133488992
1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 42571560
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (CID 133488140) is 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is FC(F)(F)Oc1ccc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The InChIKey is MVZIWHWYVNOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)23-12-4-5-14(20-11-12)22-9-7-21(8-10-22)13-3-1-2-6-19-13/h1-6,11H,7-10H2.
What are the key properties of 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine has a molecular weight of 324.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 133488140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).