1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one

C20H23FN2O — CID 16889

IUPAC1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2
InChIKeyQPHRVUMZLUQZGU-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one

1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one (PubChem CID 16889) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one
PubChem CID16889
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2
InChIKeyQPHRVUMZLUQZGU-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one (CID 16889) is 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one is O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one?
The InChIKey is QPHRVUMZLUQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one?
1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 16889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).