1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine

C25H26F3N3O — CID 11797416

IUPAC1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H26F3N3O/c26-25(27,28)21-9-11-22(12-10-21)32-23(20-6-2-1-3-7-20)13-15-30-16-18-31(19-17-30)24-8-4-5-14-29-24/h1-12,14,23H,13,15-19H2
InChIKeyBFUZKYZYAVZLHQ-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.43
Rot. Bonds7

About 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine

1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine (PubChem CID 11797416) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
PubChem CID11797416
Molecular FormulaC25H26F3N3O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H26F3N3O/c26-25(27,28)21-9-11-22(12-10-21)32-23(20-6-2-1-3-7-20)13-15-30-16-18-31(19-17-30)24-8-4-5-14-29-24/h1-12,14,23H,13,15-19H2
InChIKeyBFUZKYZYAVZLHQ-UHFFFAOYSA-N
XLogP5.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine (CID 11797416) is 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine is FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is BFUZKYZYAVZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c26-25(27,28)21-9-11-22(12-10-21)32-23(20-6-2-1-3-7-20)13-15-30-16-18-31(19-17-30)24-8-4-5-14-29-24/h1-12,14,23H,13,15-19H2.
What are the key properties of 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine?
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 441.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 11797416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).