ethyl 4-tert-butylpiperazine-2-carboxylate

C11H22N2O2 — CID 10680163

IUPACethyl 4-tert-butylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C11H22N2O2/c1-5-15-10(14)9-8-13(7-6-12-9)11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyGDXARGDLBLJELV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds2

About ethyl 4-tert-butylpiperazine-2-carboxylate

ethyl 4-tert-butylpiperazine-2-carboxylate (PubChem CID 10680163) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 4-tert-butylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-tert-butylpiperazine-2-carboxylate
PubChem CID10680163
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 4-tert-butylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C11H22N2O2/c1-5-15-10(14)9-8-13(7-6-12-9)11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyGDXARGDLBLJELV-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl Piperazine-2-carboxylate
CID 2760426
Methyl 1-acetylpiperazine-2-carboxylate
CID 45115682
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
Methyl 3-(dimethylamino)-2-methyl-2-(methylamino)propanoate
CID 61911664
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butylpiperazine-2-carboxylate?
The IUPAC name of ethyl 4-tert-butylpiperazine-2-carboxylate (CID 10680163) is ethyl 4-tert-butylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-tert-butylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 4-tert-butylpiperazine-2-carboxylate is CCOC(=O)C1CN(C(C)(C)C)CCN1.
What is the InChIKey of ethyl 4-tert-butylpiperazine-2-carboxylate?
The InChIKey is GDXARGDLBLJELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-15-10(14)9-8-13(7-6-12-9)11(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of ethyl 4-tert-butylpiperazine-2-carboxylate?
ethyl 4-tert-butylpiperazine-2-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butylpiperazine-2-carboxylate is sourced from PubChem (CID 10680163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).