1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one

C22H26F2N2O2 — CID 19844628

IUPAC1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-2-21(27)26-13-11-25(12-14-26)15-16-28-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyBJGJYJVQAUYPRB-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.62
Rot. Bonds7

About 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one

1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one (PubChem CID 19844628) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one
PubChem CID19844628
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-2-21(27)26-13-11-25(12-14-26)15-16-28-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyBJGJYJVQAUYPRB-UHFFFAOYSA-N
XLogP3.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one (CID 19844628) is 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is BJGJYJVQAUYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-2-21(27)26-13-11-25(12-14-26)15-16-28-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3.
What are the key properties of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one?
1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 388.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19844628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).