3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C11H14F3N3 — CID 62478925

IUPAC3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC1CN(c2cccc(C(F)(F)F)n2)CCN1
InChIInChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-4-2-3-9(16-10)11(12,13)14/h2-4,8,15H,5-7H2,1H3
InChIKeyRRMAUSQRDQABFM-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.90
Rot. Bonds1

About 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 62478925) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID62478925
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC1CN(c2cccc(C(F)(F)F)n2)CCN1
InChIInChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-4-2-3-9(16-10)11(12,13)14/h2-4,8,15H,5-7H2,1H3
InChIKeyRRMAUSQRDQABFM-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 62478925) is 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is CC1CN(c2cccc(C(F)(F)F)n2)CCN1.
What is the InChIKey of 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is RRMAUSQRDQABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-4-2-3-9(16-10)11(12,13)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 245.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 62478925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).