1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine

C15H22BrFN2 — CID 64933948

IUPAC1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(F)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C15H22BrFN2/c1-4-12-9-19(15(8-18-12)10(2)3)14-6-5-11(17)7-13(14)16/h5-7,10,12,15,18H,4,8-9H2,1-3H3
InChIKeyYFGWTTKFDGNMSP-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine

1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64933948) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64933948
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(F)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C15H22BrFN2/c1-4-12-9-19(15(8-18-12)10(2)3)14-6-5-11(17)7-13(14)16/h5-7,10,12,15,18H,4,8-9H2,1-3H3
InChIKeyYFGWTTKFDGNMSP-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
CID 64942325
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64935312
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine (CID 64933948) is 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(c2ccc(F)cc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is YFGWTTKFDGNMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-4-12-9-19(15(8-18-12)10(2)3)14-6-5-11(17)7-13(14)16/h5-7,10,12,15,18H,4,8-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine?
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 329.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).