1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride

C20H24ClFN2O2 — CID 3024437

IUPAC1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C(O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23FN2O2.ClH/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18;/h1-9,19,24H,10-15H2;1H
InChIKeyKVYQRVVKNVWOJB-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.00
Rot. Bonds6

About 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride

1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 3024437) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID3024437
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C(O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23FN2O2.ClH/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18;/h1-9,19,24H,10-15H2;1H
InChIKeyKVYQRVVKNVWOJB-UHFFFAOYSA-N
XLogP3.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Butropipazone
CID 16889
1-(4-Fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl hydrogen tert-butylcarbonimidate
CID 3039692
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-one
CID 10686563
1-[4-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone
CID 4552273
1-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride
CID 39885
1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone
CID 39881
1-Butanone, 2-(acetyloxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, maleate
CID 6435537
(E)-but-2-enedioic acid;[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
CID 44380204
[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] N,N-dimethylcarbamate;hydrochloride
CID 45265422
1-[4-(4-Hydroxypiperidin-1-yl)-2,3,5,6-tetra-fluorophenyl]-3-phenylprop-2-en-1-one
CID 129753095
1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one Dihydrochloride
CID 2917108
5-(2-oxo-2-phenylethoxy)-2-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-4-one
CID 7178502

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride (CID 3024437) is 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride is Cl.O=C(c1ccc(F)cc1)C(O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is KVYQRVVKNVWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18;/h1-9,19,24H,10-15H2;1H.
What are the key properties of 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride?
1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 3024437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).