1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine

C21H27FN2O — CID 22760351

IUPAC1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H27FN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3
InChIKeyXCZDMRAZZBLERF-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.82
Rot. Bonds6

About 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine

1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine (PubChem CID 22760351) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
PubChem CID22760351
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H27FN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3
InChIKeyXCZDMRAZZBLERF-UHFFFAOYSA-N
XLogP3.82
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine (CID 22760351) is 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(C(C)c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is XCZDMRAZZBLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 342.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 22760351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).