dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate

C10H18N2O4 — CID 756933

IUPACdimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
SMILESCOC(=O)N1C[C@H](C)N(C(=O)OC)C[C@@H]1C
InChIInChI=1S/C10H18N2O4/c1-7-5-12(10(14)16-4)8(2)6-11(7)9(13)15-3/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeySQXZDODXEHKUGU-YUMQZZPRSA-N
MW230.26 g/mol
LogP0.91
Rot. Bonds

About dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate

dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate (PubChem CID 756933) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
PubChem CID756933
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namedimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
SMILESCOC(=O)N1C[C@H](C)N(C(=O)OC)C[C@@H]1C
InChIInChI=1S/C10H18N2O4/c1-7-5-12(10(14)16-4)8(2)6-11(7)9(13)15-3/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeySQXZDODXEHKUGU-YUMQZZPRSA-N
XLogP0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate?
The IUPAC name of dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate (CID 756933) is dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate is COC(=O)N1C[C@H](C)N(C(=O)OC)C[C@@H]1C.
What is the InChIKey of dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate?
The InChIKey is SQXZDODXEHKUGU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-5-12(10(14)16-4)8(2)6-11(7)9(13)15-3/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate?
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate is sourced from PubChem (CID 756933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).