ditert-butyl piperazine-2,3-dicarboxylate

C14H26N2O4 — CID 18792830

IUPACditert-butyl piperazine-2,3-dicarboxylate
SMILESCC(C)(C)OC(=O)C1NCCNC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)9-10(16-8-7-15-9)12(18)20-14(4,5)6/h9-10,15-16H,7-8H2,1-6H3
InChIKeyHOIXKWYGYJKPMF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.60
Rot. Bonds2

About ditert-butyl piperazine-2,3-dicarboxylate

ditert-butyl piperazine-2,3-dicarboxylate (PubChem CID 18792830) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ditert-butyl piperazine-2,3-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl piperazine-2,3-dicarboxylate
PubChem CID18792830
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameditert-butyl piperazine-2,3-dicarboxylate
SMILESCC(C)(C)OC(=O)C1NCCNC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)9-10(16-8-7-15-9)12(18)20-14(4,5)6/h9-10,15-16H,7-8H2,1-6H3
InChIKeyHOIXKWYGYJKPMF-UHFFFAOYSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl piperazine-2,3-dicarboxylate?
The IUPAC name of ditert-butyl piperazine-2,3-dicarboxylate (CID 18792830) is ditert-butyl piperazine-2,3-dicarboxylate.
What is the SMILES notation for ditert-butyl piperazine-2,3-dicarboxylate?
The canonical SMILES for ditert-butyl piperazine-2,3-dicarboxylate is CC(C)(C)OC(=O)C1NCCNC1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl piperazine-2,3-dicarboxylate?
The InChIKey is HOIXKWYGYJKPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)9-10(16-8-7-15-9)12(18)20-14(4,5)6/h9-10,15-16H,7-8H2,1-6H3.
What are the key properties of ditert-butyl piperazine-2,3-dicarboxylate?
ditert-butyl piperazine-2,3-dicarboxylate has a molecular weight of 286.37 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl piperazine-2,3-dicarboxylate is sourced from PubChem (CID 18792830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).