1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine

C25H26F2N2O — CID 71332336

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine
SMILESFc1ccc(C(OCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
InChIKeyUIJUWLVWGZVFNM-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.89
Rot. Bonds7

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine (PubChem CID 71332336) has the molecular formula C25H26F2N2O and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine
PubChem CID71332336
Molecular FormulaC25H26F2N2O
Molecular Weight408.49 g/mol
Exact Mass408.20
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine
SMILESFc1ccc(C(OCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
InChIKeyUIJUWLVWGZVFNM-UHFFFAOYSA-N
XLogP4.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine (CID 71332336) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine is Fc1ccc(C(OCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine?
The InChIKey is UIJUWLVWGZVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine has a molecular weight of 408.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine is sourced from PubChem (CID 71332336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).