4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

C20H22ClFN2O2 — CID 139950944

IUPAC4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(O)CC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O2/c21-17-7-3-15(4-8-17)19-14-24(26)13-12-23(19)11-1-2-20(25)16-5-9-18(22)10-6-16/h3-10,19,26H,1-2,11-14H2
InChIKeyRJNAMIRUTHSOGE-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.19
Rot. Bonds6

About 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 139950944) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID139950944
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(O)CC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O2/c21-17-7-3-15(4-8-17)19-14-24(26)13-12-23(19)11-1-2-20(25)16-5-9-18(22)10-6-16/h3-10,19,26H,1-2,11-14H2
InChIKeyRJNAMIRUTHSOGE-UHFFFAOYSA-N
XLogP4.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 23452544
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
methyl 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-3-carboxylate
CID 59878462
4-[3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)butan-1-one
CID 13091268
4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 62330528
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] butanedioate
CID 118709159
4-[3-(4-chlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11200115
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] heptanedioate
CID 118709162
4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 626648

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 139950944) is 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCN(O)CC1c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is RJNAMIRUTHSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-17-7-3-15(4-8-17)19-14-24(26)13-12-23(19)11-1-2-20(25)16-5-9-18(22)10-6-16/h3-10,19,26H,1-2,11-14H2.
What are the key properties of 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 376.86 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-hydroxypiperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 139950944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).