2,2-ditert-butylpiperazine-1,4-dicarboxylic acid

C14H26N2O4 — CID 53433188

IUPAC2,2-ditert-butylpiperazine-1,4-dicarboxylic acid
SMILESCC(C)(C)C1(C(C)(C)C)CN(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-12(2,3)14(13(4,5)6)9-15(10(17)18)7-8-16(14)11(19)20/h7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyWNYSTGOIAOPTJZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.79
Rot. Bonds

About 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid

2,2-ditert-butylpiperazine-1,4-dicarboxylic acid (PubChem CID 53433188) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2,2-ditert-butylpiperazine-1,4-dicarboxylic acid
PubChem CID53433188
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2,2-ditert-butylpiperazine-1,4-dicarboxylic acid
SMILESCC(C)(C)C1(C(C)(C)C)CN(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-12(2,3)14(13(4,5)6)9-15(10(17)18)7-8-16(14)11(19)20/h7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyWNYSTGOIAOPTJZ-UHFFFAOYSA-N
XLogP2.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid?
The IUPAC name of 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid (CID 53433188) is 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid.
What is the SMILES notation for 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid?
The canonical SMILES for 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid is CC(C)(C)C1(C(C)(C)C)CN(C(=O)O)CCN1C(=O)O.
What is the InChIKey of 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid?
The InChIKey is WNYSTGOIAOPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-12(2,3)14(13(4,5)6)9-15(10(17)18)7-8-16(14)11(19)20/h7-9H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid?
2,2-ditert-butylpiperazine-1,4-dicarboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 2.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butylpiperazine-1,4-dicarboxylic acid is sourced from PubChem (CID 53433188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).