1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine

C17H18BrFN2 — CID 765074

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H18BrFN2/c18-16-12-14(6-7-17(16)19)13-20-8-10-21(11-9-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyREGIDOLZAYGUHE-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.91
Rot. Bonds3

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine

1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine (PubChem CID 765074) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine
PubChem CID765074
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H18BrFN2/c18-16-12-14(6-7-17(16)19)13-20-8-10-21(11-9-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyREGIDOLZAYGUHE-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-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine (CID 765074) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine is Fc1ccc(CN2CCN(c3ccccc3)CC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine?
The InChIKey is REGIDOLZAYGUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-16-12-14(6-7-17(16)19)13-20-8-10-21(11-9-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine 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-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 765074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).