1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone

C16H24N2O — CID 20590526

IUPAC1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyAFSMJVSDMKAIEK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds1

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone (PubChem CID 20590526) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
PubChem CID20590526
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyAFSMJVSDMKAIEK-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
CID 155748028
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
3-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 145226215
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[7-(4-tert-butylphenyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 176615864
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
CID 143497472
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 90767465
1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
CID 159764673
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone (CID 20590526) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone?
The InChIKey is AFSMJVSDMKAIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone?
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20590526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).