1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

C15H21BrN2O — CID 115414660

IUPAC1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyMEYFELZRSBQIIK-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (PubChem CID 115414660) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
PubChem CID115414660
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyMEYFELZRSBQIIK-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414667
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414552
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-bromophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078303
1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 90923108
2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
CID 84606787
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (CID 115414660) is 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is CN1CCN(C)C(CC(=O)Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The InChIKey is MEYFELZRSBQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one has a molecular weight of 325.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is sourced from PubChem (CID 115414660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).