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

C10H12F3N3 — CID 2777786

IUPAC1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCNCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
InChIKeyFRFKCMNQNNNZNO-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.51
Rot. Bonds1

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

1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 2777786) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID2777786
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCNCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
InChIKeyFRFKCMNQNNNZNO-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-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 2777786) is 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccnc1N1CCNCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is FRFKCMNQNNNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[3-(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-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 2777786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).