1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one

C22H26F2N2O2 — CID 20668989

IUPAC1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one
SMILESCC(=O)COCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-17(27)16-28-15-14-25-10-12-26(13-11-25)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,22H,10-16H2,1H3
InChIKeyWNJAXDHCWNMNOR-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.28
Rot. Bonds8

About 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one

1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one (PubChem CID 20668989) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one
PubChem CID20668989
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one
SMILESCC(=O)COCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-17(27)16-28-15-14-25-10-12-26(13-11-25)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,22H,10-16H2,1H3
InChIKeyWNJAXDHCWNMNOR-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one (CID 20668989) is 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one is CC(=O)COCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one?
The InChIKey is WNJAXDHCWNMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-17(27)16-28-15-14-25-10-12-26(13-11-25)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,22H,10-16H2,1H3.
What are the key properties of 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one?
1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one has a molecular weight of 388.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]propan-2-one is sourced from PubChem (CID 20668989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).