3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione

C8H12Br2N2O4 — CID 89212340

IUPAC3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(O)(CBr)N(C)C(=O)C1(O)CBr
InChIInChI=1S/C8H12Br2N2O4/c1-11-5(13)8(16,4-10)12(2)6(14)7(11,15)3-9/h15-16H,3-4H2,1-2H3
InChIKeyBJHGPKRJLYRROQ-UHFFFAOYSA-N
MW360.00 g/mol
LogP-0.92
Rot. Bonds2

About 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione

3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione (PubChem CID 89212340) has the molecular formula C8H12Br2N2O4 and a molecular weight of 360.00 g/mol. Its IUPAC name is 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione
PubChem CID89212340
Molecular FormulaC8H12Br2N2O4
Molecular Weight360.00 g/mol
Exact Mass357.92
IUPAC Name3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(O)(CBr)N(C)C(=O)C1(O)CBr
InChIInChI=1S/C8H12Br2N2O4/c1-11-5(13)8(16,4-10)12(2)6(14)7(11,15)3-9/h15-16H,3-4H2,1-2H3
InChIKeyBJHGPKRJLYRROQ-UHFFFAOYSA-N
XLogP-0.92
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.00
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione (CID 89212340) is 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)C(O)(CBr)N(C)C(=O)C1(O)CBr.
What is the InChIKey of 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is BJHGPKRJLYRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2O4/c1-11-5(13)8(16,4-10)12(2)6(14)7(11,15)3-9/h15-16H,3-4H2,1-2H3.
What are the key properties of 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione?
3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 360.00 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 89212340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).