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

C17H17BrF2N2 — CID 2173569

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1
InChIInChI=1S/C17H17BrF2N2/c18-16-11-13(1-6-17(16)20)12-21-7-9-22(10-8-21)15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2
InChIKeySUXMWLHATJWIAE-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.05
Rot. Bonds3

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

1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 2173569) has the molecular formula C17H17BrF2N2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID2173569
Molecular FormulaC17H17BrF2N2
Molecular Weight367.24 g/mol
Exact Mass366.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1
InChIInChI=1S/C17H17BrF2N2/c18-16-11-13(1-6-17(16)20)12-21-7-9-22(10-8-21)15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2
InChIKeySUXMWLHATJWIAE-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 2173569) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is SUXMWLHATJWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2/c18-16-11-13(1-6-17(16)20)12-21-7-9-22(10-8-21)15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 367.24 g/mol, XLogP of 4.05, 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-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2173569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).