1-[(4-bromo-2-fluorophenyl)methyl]piperazine

C11H14BrFN2 — CID 2782804

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1cc(Br)ccc1CN1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyNRCBEINBLSTDHM-UHFFFAOYSA-N
MW273.15 g/mol
LogP1.99
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]piperazine

1-[(4-bromo-2-fluorophenyl)methyl]piperazine (PubChem CID 2782804) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]piperazine
PubChem CID2782804
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]piperazine
SMILESFc1cc(Br)ccc1CN1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyNRCBEINBLSTDHM-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]piperazine (CID 2782804) is 1-[(4-bromo-2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]piperazine is Fc1cc(Br)ccc1CN1CCNCC1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]piperazine?
The InChIKey is NRCBEINBLSTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]piperazine?
1-[(4-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-[(4-bromo-2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 2782804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).