methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate

C13H26N2O2 — CID 64978568

IUPACmethyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
SMILESCCC1CN(CC(C)C(=O)OC)C(CC)CN1
InChIInChI=1S/C13H26N2O2/c1-5-11-9-15(12(6-2)7-14-11)8-10(3)13(16)17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyXWSQNZABCORHHH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate

methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate (PubChem CID 64978568) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
PubChem CID64978568
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
SMILESCCC1CN(CC(C)C(=O)OC)C(CC)CN1
InChIInChI=1S/C13H26N2O2/c1-5-11-9-15(12(6-2)7-14-11)8-10(3)13(16)17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyXWSQNZABCORHHH-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate (CID 64978568) is methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate is CCC1CN(CC(C)C(=O)OC)C(CC)CN1.
What is the InChIKey of methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate?
The InChIKey is XWSQNZABCORHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-11-9-15(12(6-2)7-14-11)8-10(3)13(16)17-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate?
methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 64978568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).