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

C17H18BrFN2 — CID 2838373

IUPAC1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C17H18BrFN2/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)16-7-5-15(19)6-8-16/h1-8H,9-13H2
InChIKeyXTFFKQIKCKVFGY-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.91
Rot. Bonds3

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

1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 2838373) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID2838373
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C17H18BrFN2/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)16-7-5-15(19)6-8-16/h1-8H,9-13H2
InChIKeyXTFFKQIKCKVFGY-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 2838373) is 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is XTFFKQIKCKVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)16-7-5-15(19)6-8-16/h1-8H,9-13H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 349.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).