ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate

C11H22N2O2 — CID 20825666

IUPACethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1C(C)CN(C)CC1C
InChIInChI=1S/C11H22N2O2/c1-5-15-11(14)8-13-9(2)6-12(4)7-10(13)3/h9-10H,5-8H2,1-4H3
InChIKeyPULQFHLFFFMGPS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.57
Rot. Bonds3

About ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate

ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate (PubChem CID 20825666) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate
PubChem CID20825666
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1C(C)CN(C)CC1C
InChIInChI=1S/C11H22N2O2/c1-5-15-11(14)8-13-9(2)6-12(4)7-10(13)3/h9-10H,5-8H2,1-4H3
InChIKeyPULQFHLFFFMGPS-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate (CID 20825666) is ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate is CCOC(=O)CN1C(C)CN(C)CC1C.
What is the InChIKey of ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate?
The InChIKey is PULQFHLFFFMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-15-11(14)8-13-9(2)6-12(4)7-10(13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate?
ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,6-trimethylpiperazin-1-yl)acetate is sourced from PubChem (CID 20825666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).