dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate

C10H18N2O4 — CID 2933274

IUPACdimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate
SMILESCOC(=O)N1CC(C)N(C(=O)OC)CC1C
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
InChIKeySQXZDODXEHKUGU-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.91
Rot. Bonds

About dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate

dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate (PubChem CID 2933274) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate
PubChem CID2933274
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namedimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate
SMILESCOC(=O)N1CC(C)N(C(=O)OC)CC1C
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
InChIKeySQXZDODXEHKUGU-UHFFFAOYSA-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 2,5-dimethylpiperazine-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate (CID 2933274) is dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate is COC(=O)N1CC(C)N(C(=O)OC)CC1C.
What is the InChIKey of dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate?
The InChIKey is SQXZDODXEHKUGU-UHFFFAOYSA-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.
What are the key properties of dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate?
dimethyl 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 2,5-dimethylpiperazine-1,4-dicarboxylate is sourced from PubChem (CID 2933274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).