methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate

C12H22N2O4 — CID 174787091

IUPACmethyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(OC(=O)C(C)(C)C)CCN1C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)11(16)18-14-7-6-13(4)9(8-14)10(15)17-5/h9H,6-8H2,1-5H3
InChIKeyHYOQVMPVXLZLLU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.28
Rot. Bonds2

About methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate

methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate (PubChem CID 174787091) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate
PubChem CID174787091
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(OC(=O)C(C)(C)C)CCN1C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)11(16)18-14-7-6-13(4)9(8-14)10(15)17-5/h9H,6-8H2,1-5H3
InChIKeyHYOQVMPVXLZLLU-UHFFFAOYSA-N
XLogP0.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
(3-bromoazetidin-1-yl) 2,2-dimethylpropanoate
CID 174717988
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174835809
[(3S)-4-(3-aminopropyl)-3-methylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174567310
[(3R)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174783365
[(3S)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174785836
methyl (2S,4R)-4-azido-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carboxylate
CID 46241940

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate?
The IUPAC name of methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate (CID 174787091) is methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate?
The canonical SMILES for methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate is COC(=O)C1CN(OC(=O)C(C)(C)C)CCN1C.
What is the InChIKey of methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate?
The InChIKey is HYOQVMPVXLZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)11(16)18-14-7-6-13(4)9(8-14)10(15)17-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate?
methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpropanoyloxy)-1-methylpiperazine-2-carboxylate is sourced from PubChem (CID 174787091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).