1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine

C24H24F3N3O2 — CID 10006279

IUPAC1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1COc1ccccc1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)21-10-11-22(30-14-12-28-13-15-30)29-23(21)32-17-19-7-5-4-6-18(19)16-31-20-8-2-1-3-9-20/h1-11,28H,12-17H2
InChIKeyVLTFROJFPRTUBA-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.67
Rot. Bonds7

About 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10006279) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10006279
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1COc1ccccc1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)21-10-11-22(30-14-12-28-13-15-30)29-23(21)32-17-19-7-5-4-6-18(19)16-31-20-8-2-1-3-9-20/h1-11,28H,12-17H2
InChIKeyVLTFROJFPRTUBA-UHFFFAOYSA-N
XLogP4.67
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10006279) is 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1COc1ccccc1.
What is the InChIKey of 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is VLTFROJFPRTUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-24(26,27)21-10-11-22(30-14-12-28-13-15-30)29-23(21)32-17-19-7-5-4-6-18(19)16-31-20-8-2-1-3-9-20/h1-11,28H,12-17H2.
What are the key properties of 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 443.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).