2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C19H22N2O3 — CID 146087246

IUPAC2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3O)CC2)cc1O
InChIInChI=1S/C19H22N2O3/c1-14-6-7-15(12-18(14)23)13-19(24)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22-23H,8-11,13H2,1H3
InChIKeyLQZFQXSFAHFPFD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 146087246) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID146087246
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3O)CC2)cc1O
InChIInChI=1S/C19H22N2O3/c1-14-6-7-15(12-18(14)23)13-19(24)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22-23H,8-11,13H2,1H3
InChIKeyLQZFQXSFAHFPFD-UHFFFAOYSA-N
XLogP2.30
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 113199055
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677814
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799856
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 146087246) is 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCN(c3ccccc3O)CC2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is LQZFQXSFAHFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-6-7-15(12-18(14)23)13-19(24)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22-23H,8-11,13H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146087246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).