3-(4-Bromophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

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Basic information

CAS: 1007210-99-2
Standard SMILES: CN1CCN(C(=O)CCc2ccc(Br)cc2)CC1
InChIKey: UNHCRFSSNIPMEY-UHFFFAOYSA-N
Molecular formula: C14H19BrN2O
Average molar mass: 311.22 g/mol
Monoisotopic mass: 310.06808

Names & identifiers

Preferred name: 3-(4-Bromophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
IUPAC: 3-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

Names & synonyms

3-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one1007210-99-2SCHEMBL2379004UNHCRFSSNIPMEY-UHFFFAOYSA-NDTXSID401199666AKOS016705608N103473-(4-Bromophenyl)-1-(4-methyl-1-piperazinyl)-1-propanone3-(4-bromo-phenyl)-1-(4-methyl-piperazin-1-yl)-propan-1-one

Database identifiers

CAS: 1007210-99-2
PubChem CID: 67386309
DTXSID: DTXSID401199666

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 269

Related reactions

2 records

New reaction record

HRID 912293As reactantuspto-grants-2011_09

HRID 1537150As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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