methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate

C10H20N2O2 — CID 22120220

IUPACmethyl 2,2-dimethyl-3-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14-3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyHHKYFZUEQZIOGI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate

methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate (PubChem CID 22120220) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-piperazin-1-ylpropanoate
PubChem CID22120220
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2,2-dimethyl-3-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14-3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyHHKYFZUEQZIOGI-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate (CID 22120220) is methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate is COC(=O)C(C)(C)CN1CCNCC1.
What is the InChIKey of methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate?
The InChIKey is HHKYFZUEQZIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(13)14-3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate?
methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate is sourced from PubChem (CID 22120220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).