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

C22H26F2N2O — CID 19844661

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h2-10,22H,1,11-17H2
InChIKeyJXVNXJMNUWSGLA-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.87
Rot. Bonds8

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine (PubChem CID 19844661) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine
PubChem CID19844661
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h2-10,22H,1,11-17H2
InChIKeyJXVNXJMNUWSGLA-UHFFFAOYSA-N
XLogP3.87
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.87
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-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine (CID 19844661) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine is C=CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine?
The InChIKey is JXVNXJMNUWSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h2-10,22H,1,11-17H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-prop-2-enylpiperazine has a molecular weight of 372.46 g/mol, XLogP of 3.87, 8 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-prop-2-enylpiperazine is sourced from PubChem (CID 19844661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).