1-[(3-bromo-2-fluorophenyl)methyl]piperazine

C11H14BrFN2 — CID 83744163

IUPAC1-[(3-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1c(Br)cccc1CN1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyCDAWFQQKANZFHY-UHFFFAOYSA-N
MW273.15 g/mol
LogP1.99
Rot. Bonds2

About 1-[(3-bromo-2-fluorophenyl)methyl]piperazine

1-[(3-bromo-2-fluorophenyl)methyl]piperazine (PubChem CID 83744163) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-[(3-bromo-2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromo-2-fluorophenyl)methyl]piperazine
PubChem CID83744163
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-[(3-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1c(Br)cccc1CN1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyCDAWFQQKANZFHY-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
3-bromo-7-(piperazin-1-ylmethyl)-2H-indazole
CID 117475753
3-bromo-4-(piperazin-1-ylmethyl)-2H-indazole
CID 117475751

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-bromo-2-fluorophenyl)methyl]piperazine (CID 83744163) is 1-[(3-bromo-2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromo-2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromo-2-fluorophenyl)methyl]piperazine is Fc1c(Br)cccc1CN1CCNCC1.
What is the InChIKey of 1-[(3-bromo-2-fluorophenyl)methyl]piperazine?
The InChIKey is CDAWFQQKANZFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2.
What are the key properties of 1-[(3-bromo-2-fluorophenyl)methyl]piperazine?
1-[(3-bromo-2-fluorophenyl)methyl]piperazine has a molecular weight of 273.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 83744163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).