4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one

C12H15BrN2O — CID 117005223

IUPAC4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
SMILESCc1cc(Br)ccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C12H15BrN2O/c1-9-7-10(13)3-4-11(9)15-6-5-14(2)12(16)8-15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCYTFSIMSVKPODX-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.04
Rot. Bonds1

About 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one

4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one (PubChem CID 117005223) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
PubChem CID117005223
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
SMILESCc1cc(Br)ccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C12H15BrN2O/c1-9-7-10(13)3-4-11(9)15-6-5-14(2)12(16)8-15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCYTFSIMSVKPODX-UHFFFAOYSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one (CID 117005223) is 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one is Cc1cc(Br)ccc1N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one?
The InChIKey is CYTFSIMSVKPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9-7-10(13)3-4-11(9)15-6-5-14(2)12(16)8-15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one?
4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 117005223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).