2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one

C16H23BrN2O2 — CID 115402268

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Br)cc1C(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)14-10-13(17)4-5-15(14)21-12(3)16(20)19-8-6-18-7-9-19/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyGJJAJMFOWMPIFY-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one

2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 115402268) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID115402268
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Br)cc1C(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)14-10-13(17)4-5-15(14)21-12(3)16(20)19-8-6-18-7-9-19/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyGJJAJMFOWMPIFY-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one 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-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
2-(2,5-dibromo-4-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 79406187
2-(4-bromo-2-propan-2-ylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 115402269
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
2-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 102949129
2-(4-bromo-3,5-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 107724467
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
2-(3-bromo-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 83235034
2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 64855022

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one (CID 115402268) is 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one is CC(Oc1ccc(Br)cc1C(C)C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is GJJAJMFOWMPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(2)14-10-13(17)4-5-15(14)21-12(3)16(20)19-8-6-18-7-9-19/h4-5,10-12,18H,6-9H2,1-3H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 355.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 115402268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).