3-butan-2-yl-1-(2,4-dibromophenyl)piperazine

C14H20Br2N2 — CID 64924362

IUPAC3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(Br)cc2Br)CCN1
InChIInChI=1S/C14H20Br2N2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyAEXZCPFXHNEQOZ-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.04
Rot. Bonds3

About 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine

3-butan-2-yl-1-(2,4-dibromophenyl)piperazine (PubChem CID 64924362) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
PubChem CID64924362
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(Br)cc2Br)CCN1
InChIInChI=1S/C14H20Br2N2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyAEXZCPFXHNEQOZ-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine (CID 64924362) is 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine is CCC(C)C1CN(c2ccc(Br)cc2Br)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine?
The InChIKey is AEXZCPFXHNEQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine?
3-butan-2-yl-1-(2,4-dibromophenyl)piperazine has a molecular weight of 376.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,4-dibromophenyl)piperazine is sourced from PubChem (CID 64924362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).