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

C11H14F3N3O — CID 133487870

IUPAC1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3O/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)18-11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyZRKPBUZULFJZRO-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.73
Rot. Bonds2

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

1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (PubChem CID 133487870) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
PubChem CID133487870
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3O/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)18-11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyZRKPBUZULFJZRO-UHFFFAOYSA-N
XLogP1.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (CID 133487870) is 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is CN1CCN(c2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The InChIKey is ZRKPBUZULFJZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)18-11(12,13)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine has a molecular weight of 261.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 133487870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).