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

C15H21BrN2O — CID 114086942

IUPAC1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C)CCN1C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11-10-17(3)8-9-18(11)12(2)15(19)13-4-6-14(16)7-5-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyVENJBPDUJIHOOJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds3

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

1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 114086942) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one
PubChem CID114086942
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C)CCN1C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11-10-17(3)8-9-18(11)12(2)15(19)13-4-6-14(16)7-5-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyVENJBPDUJIHOOJ-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one (CID 114086942) is 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one is CC1CN(C)CCN1C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is VENJBPDUJIHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-10-17(3)8-9-18(11)12(2)15(19)13-4-6-14(16)7-5-13/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one?
1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 325.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 114086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).