(2R,5S)-2,5-dimethylpiperazine-1,4-diide

C6H12N2-2 — CID 168813699

IUPAC(2R,5S)-2,5-dimethylpiperazine-1,4-diide
SMILESC[C@@H]1C[N-][C@@H](C)C[N-]1
InChIInChI=1S/C6H12N2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/q-2/t5-,6+
InChIKeyXNERPCPSYCNUDF-OLQVQODUSA-N
MW112.18 g/mol
LogP1.52
Rot. Bonds

About (2R,5S)-2,5-dimethylpiperazine-1,4-diide

(2R,5S)-2,5-dimethylpiperazine-1,4-diide (PubChem CID 168813699) has the molecular formula C6H12N2-2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethylpiperazine-1,4-diide.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethylpiperazine-1,4-diide
PubChem CID168813699
Molecular FormulaC6H12N2-2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2R,5S)-2,5-dimethylpiperazine-1,4-diide
SMILESC[C@@H]1C[N-][C@@H](C)C[N-]1
InChIInChI=1S/C6H12N2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/q-2/t5-,6+
InChIKeyXNERPCPSYCNUDF-OLQVQODUSA-N
XLogP1.52
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-Trimethylpiperazine
CID 98933
1,4-Diisopropylpiperazine
CID 204266
(2R)-1,2,4-Trimethylpiperazine
CID 12659078
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
2-(Fluoromethyl)-1,4-dimethylpiperazine
CID 138720234
(5S)-1-fluoro-2,4,5-trimethylpiperazine
CID 143310878
1-Fluoro-2,4-dimethylpiperazine
CID 145049655
1-Fluoro-4-propan-2-ylpiperazine
CID 162382732
1-Fluoro-2,4,6-trimethylpiperazine
CID 165407712
1-Fluoro-2,4,5-trimethylpiperazine
CID 166488921
(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine
CID 168938950
2-(Fluoromethyl)-4-iodo-1-methylpiperazine
CID 169618235

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethylpiperazine-1,4-diide?
The IUPAC name of (2R,5S)-2,5-dimethylpiperazine-1,4-diide (CID 168813699) is (2R,5S)-2,5-dimethylpiperazine-1,4-diide.
What is the SMILES notation for (2R,5S)-2,5-dimethylpiperazine-1,4-diide?
The canonical SMILES for (2R,5S)-2,5-dimethylpiperazine-1,4-diide is C[C@@H]1C[N-][C@@H](C)C[N-]1.
What is the InChIKey of (2R,5S)-2,5-dimethylpiperazine-1,4-diide?
The InChIKey is XNERPCPSYCNUDF-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/q-2/t5-,6+.
What are the key properties of (2R,5S)-2,5-dimethylpiperazine-1,4-diide?
(2R,5S)-2,5-dimethylpiperazine-1,4-diide has a molecular weight of 112.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethylpiperazine-1,4-diide is sourced from PubChem (CID 168813699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).