1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid

C12H16F3N3O2 — CID 69073650

IUPAC1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3.C2HF3O2/c1-9-3-2-4-10(12-9)13-7-5-11-6-8-13;3-2(4,5)1(6)7/h2-4,11H,5-8H2,1H3;(H,6,7)
InChIKeyBIVFNXOVXFJNJR-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.43
Rot. Bonds1

About 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid

1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 69073650) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID69073650
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3.C2HF3O2/c1-9-3-2-4-10(12-9)13-7-5-11-6-8-13;3-2(4,5)1(6)7/h2-4,11H,5-8H2,1H3;(H,6,7)
InChIKeyBIVFNXOVXFJNJR-UHFFFAOYSA-N
XLogP1.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid (CID 69073650) is 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid is Cc1cccc(N2CCNCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is BIVFNXOVXFJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2HF3O2/c1-9-3-2-4-10(12-9)13-7-5-11-6-8-13;3-2(4,5)1(6)7/h2-4,11H,5-8H2,1H3;(H,6,7).
What are the key properties of 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid?
1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 291.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69073650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).