ditert-butyl piperazine-1,4-dicarboxylate

C14H26N2O4 — CID 545824

IUPACditert-butyl piperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKeyYROXEBCFDJQGOH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.47
Rot. Bonds

About ditert-butyl piperazine-1,4-dicarboxylate

ditert-butyl piperazine-1,4-dicarboxylate (PubChem CID 545824) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ditert-butyl piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl piperazine-1,4-dicarboxylate
PubChem CID545824
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameditert-butyl piperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKeyYROXEBCFDJQGOH-UHFFFAOYSA-N
XLogP2.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Piperazinedicarboxylic acid, diethyl ester
CID 79615
tert-Butyl piperazine-1-carboxylate
CID 143452
1-(2-N-Boc-aminoethyl)piperazine
CID 1514401
tert-Butyl 4-carbamoylpiperazine-1-carboxylate
CID 17750351
tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 1514400
tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
CID 11287538
tert-Butyl 4-cyanopiperazine-1-carboxylate
CID 14068968
Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate
CID 45588144
Tert-butyl 4-(1-cyano-1-methylethyl)piperazine-1-carboxylate
CID 57420353
1-tert-Butyloxycarbonyl-4-(3-aminopropyl)piperazine
CID 17750945
tert-Butyl 4-(2-(methylamino)ethyl)piperazine-1-carboxylate
CID 23081391
Tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate
CID 28505547

Frequently Asked Questions

What is the IUPAC name of ditert-butyl piperazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl piperazine-1,4-dicarboxylate (CID 545824) is ditert-butyl piperazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl piperazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl piperazine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of ditert-butyl piperazine-1,4-dicarboxylate?
The InChIKey is YROXEBCFDJQGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3.
What are the key properties of ditert-butyl piperazine-1,4-dicarboxylate?
ditert-butyl piperazine-1,4-dicarboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl piperazine-1,4-dicarboxylate is sourced from PubChem (CID 545824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).