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

C16H17F3N2O — CID 750989

IUPAC1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)14-2-1-3-15(10-14)21-7-5-20(6-8-21)11-13-4-9-22-12-13/h1-4,9-10,12H,5-8,11H2
InChIKeyGIKIGLANZFTAQV-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.62
Rot. Bonds3

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

1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 750989) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID750989
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)14-2-1-3-15(10-14)21-7-5-20(6-8-21)11-13-4-9-22-12-13/h1-4,9-10,12H,5-8,11H2
InChIKeyGIKIGLANZFTAQV-UHFFFAOYSA-N
XLogP3.62
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 750989) is 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3ccoc3)CC2)c1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is GIKIGLANZFTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)14-2-1-3-15(10-14)21-7-5-20(6-8-21)11-13-4-9-22-12-13/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 310.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 750989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).