2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H22N2O2 — CID 61399745

IUPAC2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-6-8-17(9-7-16)15(19)11-13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyVPAHERXHXQTOKA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 61399745) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID61399745
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-6-8-17(9-7-16)15(19)11-13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyVPAHERXHXQTOKA-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-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-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 61399745) is 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)Cc2cccc(O)c2)CC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VPAHERXHXQTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)16-6-8-17(9-7-16)15(19)11-13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61399745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).