1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

C15H22BrFN2 — CID 107603926

IUPAC1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2c(F)cccc2Br)C(C)CN1
InChIInChI=1S/C15H22BrFN2/c1-10(2)7-12-9-19(11(3)8-18-12)15-13(16)5-4-6-14(15)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyYKAXXZJWVAJBPS-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 107603926) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID107603926
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2c(F)cccc2Br)C(C)CN1
InChIInChI=1S/C15H22BrFN2/c1-10(2)7-12-9-19(11(3)8-18-12)15-13(16)5-4-6-14(15)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyYKAXXZJWVAJBPS-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

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Related Compounds

1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine
CID 64934794
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 107603926) is 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(c2c(F)cccc2Br)C(C)CN1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is YKAXXZJWVAJBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10(2)7-12-9-19(11(3)8-18-12)15-13(16)5-4-6-14(15)17/h4-6,10-12,18H,7-9H2,1-3H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine 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-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 107603926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).