ethyl 2-(4-propylpiperazin-1-yl)acetate

C11H22N2O2 — CID 6468647

IUPACethyl 2-(4-propylpiperazin-1-yl)acetate
SMILESCCCN1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)10-11(14)15-4-2/h3-10H2,1-2H3
InChIKeyHCFLBLOXWIWWIP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About ethyl 2-(4-propylpiperazin-1-yl)acetate

ethyl 2-(4-propylpiperazin-1-yl)acetate (PubChem CID 6468647) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-(4-propylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-propylpiperazin-1-yl)acetate
PubChem CID6468647
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-(4-propylpiperazin-1-yl)acetate
SMILESCCCN1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)10-11(14)15-4-2/h3-10H2,1-2H3
InChIKeyHCFLBLOXWIWWIP-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-propylpiperazin-1-yl)acetate (CID 6468647) is ethyl 2-(4-propylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-propylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-propylpiperazin-1-yl)acetate is CCCN1CCN(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(4-propylpiperazin-1-yl)acetate?
The InChIKey is HCFLBLOXWIWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)10-11(14)15-4-2/h3-10H2,1-2H3.
What are the key properties of ethyl 2-(4-propylpiperazin-1-yl)acetate?
ethyl 2-(4-propylpiperazin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propylpiperazin-1-yl)acetate is sourced from PubChem (CID 6468647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).