2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C16H23BrN2O2 — CID 1318258

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12(2)13-4-5-15(14(17)10-13)21-11-16(20)19-8-6-18(3)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyHEPMWAKCIRFEQU-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 1318258) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID1318258
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12(2)13-4-5-15(14(17)10-13)21-11-16(20)19-8-6-18(3)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyHEPMWAKCIRFEQU-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-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-(2-bromo-4-isopropylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 1319582
1-(Azepan-1-yl)-2-(2-bromo-4-tert-butylphenoxy)ethanone
CID 2202481
2-(4-Methylphenoxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 880785
2-(2-Bromo-4-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 795328
2-(2-Bromo-4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 868012
4-[(4-Tert-butylphenoxy)acetyl]-1-piperazinecarbaldehyde
CID 873914
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
2-(2-Bromo-4-tert-butylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 1291479
1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
CID 1319018
2-[(2-Bromo-4-methylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
CID 1370376
2-(6-Bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
CID 2455427
1-(4-Methyl-1,4-diazepan-1-yl)-2-[4-(propan-2-yl)phenoxy]ethanone
CID 17127034

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 1318258) is 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HEPMWAKCIRFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12(2)13-4-5-15(14(17)10-13)21-11-16(20)19-8-6-18(3)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 355.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1318258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).