1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine

C26H26F4N2O — CID 10623740

IUPAC1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26F4N2O/c27-22-8-10-23(11-9-22)32-18-16-31(17-19-32)15-14-25(20-4-2-1-3-5-20)33-24-12-6-21(7-13-24)26(28,29)30/h1-13,25H,14-19H2
InChIKeyIWEYSMKGYWBMOK-UHFFFAOYSA-N
MW458.50 g/mol
LogP6.18
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine

1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (PubChem CID 10623740) has the molecular formula C26H26F4N2O and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
PubChem CID10623740
Molecular FormulaC26H26F4N2O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26F4N2O/c27-22-8-10-23(11-9-22)32-18-16-31(17-19-32)15-14-25(20-4-2-1-3-5-20)33-24-12-6-21(7-13-24)26(28,29)30/h1-13,25H,14-19H2
InChIKeyIWEYSMKGYWBMOK-UHFFFAOYSA-N
XLogP6.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (CID 10623740) is 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is Fc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The InChIKey is IWEYSMKGYWBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N2O/c27-22-8-10-23(11-9-22)32-18-16-31(17-19-32)15-14-25(20-4-2-1-3-5-20)33-24-12-6-21(7-13-24)26(28,29)30/h1-13,25H,14-19H2.
What are the key properties of 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine has a molecular weight of 458.50 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is sourced from PubChem (CID 10623740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).