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

C18H20BrFN2 — CID 1351426

IUPAC1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C18H20BrFN2/c19-18-4-2-1-3-16(18)14-22-11-9-21(10-12-22)13-15-5-7-17(20)8-6-15/h1-8H,9-14H2
InChIKeyCVIBWJOZLCOOQJ-UHFFFAOYSA-N
MW363.27 g/mol
LogP3.91
Rot. Bonds4

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

1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 1351426) has the molecular formula C18H20BrFN2 and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID1351426
Molecular FormulaC18H20BrFN2
Molecular Weight363.27 g/mol
Exact Mass362.08
IUPAC Name1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C18H20BrFN2/c19-18-4-2-1-3-16(18)14-22-11-9-21(10-12-22)13-15-5-7-17(20)8-6-15/h1-8H,9-14H2
InChIKeyCVIBWJOZLCOOQJ-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
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)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 1351426) is 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(Cc3ccccc3Br)CC2)cc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is CVIBWJOZLCOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2/c19-18-4-2-1-3-16(18)14-22-11-9-21(10-12-22)13-15-5-7-17(20)8-6-15/h1-8H,9-14H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(2-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 363.27 g/mol, XLogP of 3.91, 4 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)methyl]piperazine is sourced from PubChem (CID 1351426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).