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

C14H28N2O2 — CID 79619649

IUPACmethyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate
SMILESCCC1CN(CC(C)(C)C(=O)OC)C(CC)CN1
InChIInChI=1S/C14H28N2O2/c1-6-11-9-16(12(7-2)8-15-11)10-14(3,4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyAIUDPFWCFCMWPJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds5

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

methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79619649) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate
PubChem CID79619649
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate
SMILESCCC1CN(CC(C)(C)C(=O)OC)C(CC)CN1
InChIInChI=1S/C14H28N2O2/c1-6-11-9-16(12(7-2)8-15-11)10-14(3,4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyAIUDPFWCFCMWPJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
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)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate (CID 79619649) is methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate is CCC1CN(CC(C)(C)C(=O)OC)C(CC)CN1.
What is the InChIKey of methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is AIUDPFWCFCMWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-11-9-16(12(7-2)8-15-11)10-14(3,4)13(17)18-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 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)-2,2-dimethylpropanoate is sourced from PubChem (CID 79619649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).