diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate

C12H22N2O4 — CID 121013120

IUPACdiethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
SMILESCCOC(=O)N1CC(C)N(C(=O)OCC)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-5-17-11(15)13-7-9(3)14(10(4)8-13)12(16)18-6-2/h9-10H,5-8H2,1-4H3
InChIKeyYPAVIOMQGNEXRO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds2

About diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate

diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate (PubChem CID 121013120) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
PubChem CID121013120
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namediethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
SMILESCCOC(=O)N1CC(C)N(C(=O)OCC)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-5-17-11(15)13-7-9(3)14(10(4)8-13)12(16)18-6-2/h9-10H,5-8H2,1-4H3
InChIKeyYPAVIOMQGNEXRO-UHFFFAOYSA-N
XLogP1.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
CID 13414046
ethyl 4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboxylate
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ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate
CID 167149190
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 5-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045601
ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
CID 131155373
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate (CID 121013120) is diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate is CCOC(=O)N1CC(C)N(C(=O)OCC)C(C)C1.
What is the InChIKey of diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate?
The InChIKey is YPAVIOMQGNEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-17-11(15)13-7-9(3)14(10(4)8-13)12(16)18-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate?
diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate has a molecular weight of 258.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate is sourced from PubChem (CID 121013120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).