tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate

C15H30N2O2 — CID 90013842

IUPACtert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate
SMILESCCC1(CC)CNC(C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-8-15(9-2)10-16-14(6,7)11-17(15)12(18)19-13(3,4)5/h16H,8-11H2,1-7H3
InChIKeyVAUXLEXSISBJSX-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate

tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate (PubChem CID 90013842) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate
PubChem CID90013842
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate
SMILESCCC1(CC)CNC(C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-8-15(9-2)10-16-14(6,7)11-17(15)12(18)19-13(3,4)5/h16H,8-11H2,1-7H3
InChIKeyVAUXLEXSISBJSX-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
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tert-butyl 5-formyl-2,2-dimethylimidazolidine-1-carboxylate
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tert-butyl 4,4-difluoro-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
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(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
1-O-tert-butyl 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
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tert-butyl 2-ethoxy-2-methyl-3-oxo-5-(oxomethylidene)piperazine-1-carboxylate
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CID 130067790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate (CID 90013842) is tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate is CCC1(CC)CNC(C)(C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate?
The InChIKey is VAUXLEXSISBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-8-15(9-2)10-16-14(6,7)11-17(15)12(18)19-13(3,4)5/h16H,8-11H2,1-7H3.
What are the key properties of tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate?
tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 90013842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).