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

C16H24N2O2 — CID 62735027

IUPAC2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)12-17-6-8-18(9-7-17)16(20)11-14-4-3-5-15(19)10-14/h3-5,10,13,19H,6-9,11-12H2,1-2H3
InChIKeyYDRIIUQRCFFHSM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds4

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

2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 62735027) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID62735027
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)12-17-6-8-18(9-7-17)16(20)11-14-4-3-5-15(19)10-14/h3-5,10,13,19H,6-9,11-12H2,1-2H3
InChIKeyYDRIIUQRCFFHSM-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 63861899
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
1-[(4S)-4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]azepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125026140
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 62735027) is 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is CC(C)CN1CCN(C(=O)Cc2cccc(O)c2)CC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is YDRIIUQRCFFHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)12-17-6-8-18(9-7-17)16(20)11-14-4-3-5-15(19)10-14/h3-5,10,13,19H,6-9,11-12H2,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.73, 4 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-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62735027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).