1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

C18H20BrFN2O — CID 1377006

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20BrFN2O/c1-23-18-7-2-15(19)12-14(18)13-21-8-10-22(11-9-21)17-5-3-16(20)4-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyODXKMNKWPILOGC-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.92
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 1377006) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID1377006
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20BrFN2O/c1-23-18-7-2-15(19)12-14(18)13-21-8-10-22(11-9-21)17-5-3-16(20)4-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyODXKMNKWPILOGC-UHFFFAOYSA-N
XLogP3.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2-methoxyphenyl)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-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 1377006) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is COc1ccc(Br)cc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is ODXKMNKWPILOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-23-18-7-2-15(19)12-14(18)13-21-8-10-22(11-9-21)17-5-3-16(20)4-6-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 379.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1377006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).