1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine

C10H14F3N3 — CID 151578918

IUPAC1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine
SMILESFC(F)(F)C1=CC=CN(N2CCNCC2)C1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-2-1-5-16(8-9)15-6-3-14-4-7-15/h1-2,5,14H,3-4,6-8H2
InChIKeyQGBBRFGLSFLSGO-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.12
Rot. Bonds1

About 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine

1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine (PubChem CID 151578918) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine
PubChem CID151578918
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine
SMILESFC(F)(F)C1=CC=CN(N2CCNCC2)C1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-2-1-5-16(8-9)15-6-3-14-4-7-15/h1-2,5,14H,3-4,6-8H2
InChIKeyQGBBRFGLSFLSGO-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine (CID 151578918) is 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine is FC(F)(F)C1=CC=CN(N2CCNCC2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine?
The InChIKey is QGBBRFGLSFLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-2-1-5-16(8-9)15-6-3-14-4-7-15/h1-2,5,14H,3-4,6-8H2.
What are the key properties of 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine?
1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine has a molecular weight of 233.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-2H-pyridin-1-yl]piperazine is sourced from PubChem (CID 151578918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).