2-[(5-bromo-2-fluorophenyl)methyl]piperazine

C11H14BrFN2 — CID 116825334

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Br)cc1CC1CNCCN1
InChIInChI=1S/C11H14BrFN2/c12-9-1-2-11(13)8(5-9)6-10-7-14-3-4-15-10/h1-2,5,10,14-15H,3-4,6-7H2
InChIKeyBTJOONDPTFBKEE-UHFFFAOYSA-N
MW273.15 g/mol
LogP1.69
Rot. Bonds2

About 2-[(5-bromo-2-fluorophenyl)methyl]piperazine

2-[(5-bromo-2-fluorophenyl)methyl]piperazine (PubChem CID 116825334) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]piperazine
PubChem CID116825334
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Br)cc1CC1CNCCN1
InChIInChI=1S/C11H14BrFN2/c12-9-1-2-11(13)8(5-9)6-10-7-14-3-4-15-10/h1-2,5,10,14-15H,3-4,6-7H2
InChIKeyBTJOONDPTFBKEE-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
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CID 174210894
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CID 64871078
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
1-(5-bromo-2-fluorophenyl)-3-(1,1-dioxo-1,4-thiazinan-3-yl)propan-2-one
CID 116595603
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]piperazine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]piperazine (CID 116825334) is 2-[(5-bromo-2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]piperazine is Fc1ccc(Br)cc1CC1CNCCN1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]piperazine?
The InChIKey is BTJOONDPTFBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-1-2-11(13)8(5-9)6-10-7-14-3-4-15-10/h1-2,5,10,14-15H,3-4,6-7H2.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]piperazine?
2-[(5-bromo-2-fluorophenyl)methyl]piperazine has a molecular weight of 273.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 116825334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).