bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)

C102H108F8N8O4 — CID 158292101

IUPACbis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H27F3N2O.2C25H27FN2O/c2*27-26(28,29)22-11-13-24(14-12-22)32-25(21-7-3-1-4-8-21)15-16-30-17-19-31(20-18-30)23-9-5-2-6-10-23;2*26-22-11-13-24(14-12-22)29-25(21-7-3-1-4-8-21)15-16-27-17-19-28(20-18-27)23-9-5-2-6-10-23/h2*1-14,25H,15-20H2;2*1-14,25H,15-20H2
InChIKeyGLMASXHJCDYFCK-UHFFFAOYSA-N
MW1662.02 g/mol
LogP22.39
Rot. Bonds28

About bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)

bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine) (PubChem CID 158292101) has the molecular formula C102H108F8N8O4 and a molecular weight of 1662.02 g/mol. Its IUPAC name is bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine).

Molecular Properties

Compound Namebis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)
PubChem CID158292101
Molecular FormulaC102H108F8N8O4
Molecular Weight1662.02 g/mol
Exact Mass1660.84
IUPAC Namebis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H27F3N2O.2C25H27FN2O/c2*27-26(28,29)22-11-13-24(14-12-22)32-25(21-7-3-1-4-8-21)15-16-30-17-19-31(20-18-30)23-9-5-2-6-10-23;2*26-22-11-13-24(14-12-22)29-25(21-7-3-1-4-8-21)15-16-27-17-19-28(20-18-27)23-9-5-2-6-10-23/h2*1-14,25H,15-20H2;2*1-14,25H,15-20H2
InChIKeyGLMASXHJCDYFCK-UHFFFAOYSA-N
XLogP22.39
TPSA62.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.02
LogP ≤ 522.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)?
The IUPAC name of bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine) (CID 158292101) is bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine).
What is the SMILES notation for bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)?
The canonical SMILES for bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine) is FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)?
The InChIKey is GLMASXHJCDYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27F3N2O.2C25H27FN2O/c2*27-26(28,29)22-11-13-24(14-12-22)32-25(21-7-3-1-4-8-21)15-16-30-17-19-31(20-18-30)23-9-5-2-6-10-23;2*26-22-11-13-24(14-12-22)29-25(21-7-3-1-4-8-21)15-16-27-17-19-28(20-18-27)23-9-5-2-6-10-23/h2*1-14,25H,15-20H2;2*1-14,25H,15-20H2.
What are the key properties of bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine)?
bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine) has a molecular weight of 1662.02 g/mol, XLogP of 22.39, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-(4-fluorophenoxy)-3-phenylpropyl]-4-phenylpiperazine);bis(1-phenyl-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine) is sourced from PubChem (CID 158292101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).