1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C17H18F3N3 — CID 764432

IUPAC1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)15-4-1-5-16(11-15)23-9-7-22(8-10-23)13-14-3-2-6-21-12-14/h1-6,11-12H,7-10,13H2
InChIKeyPZTKZXLFTDBJMF-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.42
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 764432) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID764432
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)15-4-1-5-16(11-15)23-9-7-22(8-10-23)13-14-3-2-6-21-12-14/h1-6,11-12H,7-10,13H2
InChIKeyPZTKZXLFTDBJMF-UHFFFAOYSA-N
XLogP3.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 764432) is 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is PZTKZXLFTDBJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-17(19,20)15-4-1-5-16(11-15)23-9-7-22(8-10-23)13-14-3-2-6-21-12-14/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 321.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 764432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).