1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine

C14H20Br2N2 — CID 64937159

IUPAC1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(Br)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C14H20Br2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyYBWXXNAGBIYOBG-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.03
Rot. Bonds2

About 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine

1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937159) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937159
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(Br)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C14H20Br2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyYBWXXNAGBIYOBG-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
3-bromo-4-(2,5-dimethylpiperazin-1-yl)benzonitrile
CID 82808747

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64937159) is 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2ccc(Br)cc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is YBWXXNAGBIYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 376.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).