1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine

C17H18BrFN2 — CID 3911738

IUPAC1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C17H18BrFN2/c18-15-7-3-1-5-13(15)17(21-11-9-20-10-12-21)14-6-2-4-8-16(14)19/h1-8,17,20H,9-12H2
InChIKeyGRTKCSHURXVNJF-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.58
Rot. Bonds3

About 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine

1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine (PubChem CID 3911738) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine
PubChem CID3911738
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C17H18BrFN2/c18-15-7-3-1-5-13(15)17(21-11-9-20-10-12-21)14-6-2-4-8-16(14)19/h1-8,17,20H,9-12H2
InChIKeyGRTKCSHURXVNJF-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine (CID 3911738) is 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine is Fc1ccccc1C(c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine?
The InChIKey is GRTKCSHURXVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-7-3-1-5-13(15)17(21-11-9-20-10-12-21)14-6-2-4-8-16(14)19/h1-8,17,20H,9-12H2.
What are the key properties of 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine?
1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine has a molecular weight of 349.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3911738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).