methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate

C12H24N2O2 — CID 79619817

IUPACmethyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(C)NCC1C
InChIInChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)8-12(3,4)11(15)16-5/h9-10,13H,6-8H2,1-5H3
InChIKeyYFXAICHAMUTCTE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds3

About methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate

methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79619817) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
PubChem CID79619817
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(C)NCC1C
InChIInChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)8-12(3,4)11(15)16-5/h9-10,13H,6-8H2,1-5H3
InChIKeyYFXAICHAMUTCTE-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate (CID 79619817) is methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CC(C)NCC1C.
What is the InChIKey of methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is YFXAICHAMUTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)8-12(3,4)11(15)16-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79619817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).