1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine

C23H28F2N2O — CID 19844626

IUPAC1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O/c1-3-12-26-13-15-27(16-14-26)17-18-28-23(2,19-4-8-21(24)9-5-19)20-6-10-22(25)11-7-20/h3-11H,1,12-18H2,2H3
InChIKeyFLLFOLTUBIVBQP-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.05
Rot. Bonds8

About 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine

1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine (PubChem CID 19844626) has the molecular formula C23H28F2N2O and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine
PubChem CID19844626
Molecular FormulaC23H28F2N2O
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O/c1-3-12-26-13-15-27(16-14-26)17-18-28-23(2,19-4-8-21(24)9-5-19)20-6-10-22(25)11-7-20/h3-11H,1,12-18H2,2H3
InChIKeyFLLFOLTUBIVBQP-UHFFFAOYSA-N
XLogP4.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine (CID 19844626) is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine is C=CCN1CCN(CCOC(C)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine?
The InChIKey is FLLFOLTUBIVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O/c1-3-12-26-13-15-27(16-14-26)17-18-28-23(2,19-4-8-21(24)9-5-19)20-6-10-22(25)11-7-20/h3-11H,1,12-18H2,2H3.
What are the key properties of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine?
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine has a molecular weight of 386.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 19844626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).