1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine

C13H18BrFN2 — CID 64937670

IUPAC1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyJRVVMCGIXOSXMH-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.02
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine

1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine (PubChem CID 64937670) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
PubChem CID64937670
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyJRVVMCGIXOSXMH-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine
CID 103193692
1-(4-bromo-2-chlorophenyl)-2-propan-2-ylpiperazine
CID 64932285
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64931291
1-(2-bromo-5-chlorophenyl)-2-propan-2-ylpiperazine
CID 81272673
1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64934453
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine (CID 64937670) is 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine?
The InChIKey is JRVVMCGIXOSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine?
1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine has a molecular weight of 301.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).