1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C17H26N2O2 — CID 170861545

IUPAC1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(O)c(C(C)C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)11-19-7-5-18(4)6-8-19/h9-10,12,20H,5-8,11H2,1-4H3
InChIKeyFEKJRQZTIIRWNJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861545) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861545
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(O)c(C(C)C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)11-19-7-5-18(4)6-8-19/h9-10,12,20H,5-8,11H2,1-4H3
InChIKeyFEKJRQZTIIRWNJ-UHFFFAOYSA-N
XLogP2.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-hydroxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862157
1-(4-hydroxy-2,3,5-trimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862015
2-(4-propan-2-ylpiperazin-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797246
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
2-amino-4-hydroxy-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861812
1-(4-bromo-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862066
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
1-(2,5-dimethylfuran-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861107
1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862125
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
CID 93192786

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861545) is 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is Cc1cc(O)c(C(C)C)cc1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FEKJRQZTIIRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)14-10-15(13(3)9-16(14)20)17(21)11-19-7-5-18(4)6-8-19/h9-10,12,20H,5-8,11H2,1-4H3.
What are the key properties of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).