1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine

C28H32F2N2O — CID 66729523

IUPAC1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine
SMILESCCC1CN(CCCc2ccccc2)CCN1OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H32F2N2O/c1-2-27-21-31(18-6-9-22-7-4-3-5-8-22)19-20-32(27)33-28(23-10-14-25(29)15-11-23)24-12-16-26(30)17-13-24/h3-5,7-8,10-17,27-28H,2,6,9,18-21H2,1H3
InChIKeyVFNGRGKUAFYMOT-UHFFFAOYSA-N
MW450.57 g/mol
LogP6.01
Rot. Bonds9

About 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine

1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine (PubChem CID 66729523) has the molecular formula C28H32F2N2O and a molecular weight of 450.57 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine
PubChem CID66729523
Molecular FormulaC28H32F2N2O
Molecular Weight450.57 g/mol
Exact Mass450.25
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine
SMILESCCC1CN(CCCc2ccccc2)CCN1OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H32F2N2O/c1-2-27-21-31(18-6-9-22-7-4-3-5-8-22)19-20-32(27)33-28(23-10-14-25(29)15-11-23)24-12-16-26(30)17-13-24/h3-5,7-8,10-17,27-28H,2,6,9,18-21H2,1H3
InChIKeyVFNGRGKUAFYMOT-UHFFFAOYSA-N
XLogP6.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine (CID 66729523) is 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine is CCC1CN(CCCc2ccccc2)CCN1OC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine?
The InChIKey is VFNGRGKUAFYMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2O/c1-2-27-21-31(18-6-9-22-7-4-3-5-8-22)19-20-32(27)33-28(23-10-14-25(29)15-11-23)24-12-16-26(30)17-13-24/h3-5,7-8,10-17,27-28H,2,6,9,18-21H2,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine?
1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine has a molecular weight of 450.57 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 66729523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).