4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate

C11H20N2O4 — CID 11118267

IUPAC4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate
SMILESCOC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-12(6-8-13)9(14)16-4/h5-8H2,1-4H3
InChIKeyQANARYJGEGFNNQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.31
Rot. Bonds

About 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate

4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate (PubChem CID 11118267) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate
PubChem CID11118267
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate
SMILESCOC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-12(6-8-13)9(14)16-4/h5-8H2,1-4H3
InChIKeyQANARYJGEGFNNQ-UHFFFAOYSA-N
XLogP1.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate (CID 11118267) is 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate is COC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate?
The InChIKey is QANARYJGEGFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-12(6-8-13)9(14)16-4/h5-8H2,1-4H3.
What are the key properties of 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate?
4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 1-O-methyl piperazine-1,4-dicarboxylate is sourced from PubChem (CID 11118267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).