2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C18H28N2O3 — CID 154743326

IUPAC2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C18H28N2O3/c1-3-15(2)16-6-4-5-7-17(16)23-14-18(22)20-10-8-19(9-11-20)12-13-21/h4-7,15,21H,3,8-14H2,1-2H3
InChIKeyQMBFAGXLVGTXJU-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.72
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 154743326) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID154743326
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C18H28N2O3/c1-3-15(2)16-6-4-5-7-17(16)23-14-18(22)20-10-8-19(9-11-20)12-13-21/h4-7,15,21H,3,8-14H2,1-2H3
InChIKeyQMBFAGXLVGTXJU-UHFFFAOYSA-N
XLogP1.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891172
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
2-(2-butan-2-ylphenoxy)-1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanone
CID 46413255
2-(2-butan-2-ylphenoxy)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 56754034
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18137081
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 63308669
2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
CID 95788402
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
2-(2-butan-2-ylphenoxy)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55918427
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 122147702

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 154743326) is 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is CCC(C)c1ccccc1OCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is QMBFAGXLVGTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-15(2)16-6-4-5-7-17(16)23-14-18(22)20-10-8-19(9-11-20)12-13-21/h4-7,15,21H,3,8-14H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 320.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154743326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).