1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid

C12H14F3N3O2 — CID 56716071

IUPAC1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
SMILESCN1CCN(c2cc(C(F)(F)F)ccn2)CC1C(=O)O
InChIInChI=1S/C12H14F3N3O2/c1-17-4-5-18(7-9(17)11(19)20)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,19,20)
InChIKeyUELHISNISCIXFX-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.31
Rot. Bonds2

About 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid

1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid (PubChem CID 56716071) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
PubChem CID56716071
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
SMILESCN1CCN(c2cc(C(F)(F)F)ccn2)CC1C(=O)O
InChIInChI=1S/C12H14F3N3O2/c1-17-4-5-18(7-9(17)11(19)20)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,19,20)
InChIKeyUELHISNISCIXFX-UHFFFAOYSA-N
XLogP1.31
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid (CID 56716071) is 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid is CN1CCN(c2cc(C(F)(F)F)ccn2)CC1C(=O)O.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The InChIKey is UELHISNISCIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-17-4-5-18(7-9(17)11(19)20)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56716071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).