1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C10H12F3N3 — CID 667618

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
InChIKeyBNMSJUIMZULLAS-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.51
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 667618) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID667618
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
InChIKeyBNMSJUIMZULLAS-UHFFFAOYSA-N
XLogP1.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 667618) is 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is BNMSJUIMZULLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 231.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 667618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).