5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine

C15H22Br2N2 — CID 64939257

IUPAC5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2cc(Br)ccc2Br)C(C)CN1
InChIInChI=1S/C15H22Br2N2/c1-4-10(2)14-9-19(11(3)8-18-14)15-7-12(16)5-6-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyFHUADBRUBODIBU-UHFFFAOYSA-N
MW390.16 g/mol
LogP4.42
Rot. Bonds3

About 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine

5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine (PubChem CID 64939257) has the molecular formula C15H22Br2N2 and a molecular weight of 390.16 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
PubChem CID64939257
Molecular FormulaC15H22Br2N2
Molecular Weight390.16 g/mol
Exact Mass388.01
IUPAC Name5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2cc(Br)ccc2Br)C(C)CN1
InChIInChI=1S/C15H22Br2N2/c1-4-10(2)14-9-19(11(3)8-18-14)15-7-12(16)5-6-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyFHUADBRUBODIBU-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64936357
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586926
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine (CID 64939257) is 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine is CCC(C)C1CN(c2cc(Br)ccc2Br)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine?
The InChIKey is FHUADBRUBODIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2/c1-4-10(2)14-9-19(11(3)8-18-14)15-7-12(16)5-6-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine?
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine has a molecular weight of 390.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine is sourced from PubChem (CID 64939257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).