1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine

C10H12F3N3 — CID 176531468

IUPAC1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine
SMILESFC(F)(F)C1=CC=C=C(N2CCNCC2)N1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16/h1-2,14-15H,4-7H2
InChIKeyPHZHVOMFDKEHFX-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.94
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine

1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine (PubChem CID 176531468) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine
PubChem CID176531468
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine
SMILESFC(F)(F)C1=CC=C=C(N2CCNCC2)N1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16/h1-2,14-15H,4-7H2
InChIKeyPHZHVOMFDKEHFX-UHFFFAOYSA-N
XLogP0.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine (CID 176531468) is 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine is FC(F)(F)C1=CC=C=C(N2CCNCC2)N1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine?
The InChIKey is PHZHVOMFDKEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16/h1-2,14-15H,4-7H2.
What are the key properties of 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine?
1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine has a molecular weight of 231.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1H-pyridin-2-yl]piperazine is sourced from PubChem (CID 176531468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).