3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one

C20H24N2O3 — CID 110024245

IUPAC3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(O)(CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(25,16-5-3-2-4-6-16)15-19(24)22-13-11-21(12-14-22)17-7-9-18(23)10-8-17/h2-10,23,25H,11-15H2,1H3
InChIKeyQLPKBPBNVYALRK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.34
Rot. Bonds4

About 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one

3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 110024245) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one
PubChem CID110024245
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(O)(CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(25,16-5-3-2-4-6-16)15-19(24)22-13-11-21(12-14-22)17-7-9-18(23)10-8-17/h2-10,23,25H,11-15H2,1H3
InChIKeyQLPKBPBNVYALRK-UHFFFAOYSA-N
XLogP2.34
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid
CID 5136113
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid
CID 6736534
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 1056059
3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
CID 110024262
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one (CID 110024245) is 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one is CC(O)(CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The InChIKey is QLPKBPBNVYALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(25,16-5-3-2-4-6-16)15-19(24)22-13-11-21(12-14-22)17-7-9-18(23)10-8-17/h2-10,23,25H,11-15H2,1H3.
What are the key properties of 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one?
3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 340.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 110024245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).