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

C27H30F2N2O — CID 12634880

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2O/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)32-21-20-31-18-16-30(17-19-31)15-14-22-4-2-1-3-5-22/h1-13,27H,14-21H2
InChIKeyAASZEODWFQQIRF-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.93
Rot. Bonds9

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine (PubChem CID 12634880) has the molecular formula C27H30F2N2O and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine
PubChem CID12634880
Molecular FormulaC27H30F2N2O
Molecular Weight436.55 g/mol
Exact Mass436.23
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2O/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)32-21-20-31-18-16-30(17-19-31)15-14-22-4-2-1-3-5-22/h1-13,27H,14-21H2
InChIKeyAASZEODWFQQIRF-UHFFFAOYSA-N
XLogP4.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine (CID 12634880) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine is Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is AASZEODWFQQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)32-21-20-31-18-16-30(17-19-31)15-14-22-4-2-1-3-5-22/h1-13,27H,14-21H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 436.55 g/mol, XLogP of 4.93, 9 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-(2-phenylethyl)piperazine is sourced from PubChem (CID 12634880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).