ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate

C13H26N2O2 — CID 20735417

IUPACethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C(CC)CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-12(5-2)15-9-7-14(8-10-15)11-13(16)17-6-3/h12H,4-11H2,1-3H3
InChIKeyOKTRDOBGSRYXOD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate

ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate (PubChem CID 20735417) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate
PubChem CID20735417
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C(CC)CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-12(5-2)15-9-7-14(8-10-15)11-13(16)17-6-3/h12H,4-11H2,1-3H3
InChIKeyOKTRDOBGSRYXOD-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate (CID 20735417) is ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate is CCOC(=O)CN1CCN(C(CC)CC)CC1.
What is the InChIKey of ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate?
The InChIKey is OKTRDOBGSRYXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(5-2)15-9-7-14(8-10-15)11-13(16)17-6-3/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate?
ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-pentan-3-ylpiperazin-1-yl)acetate is sourced from PubChem (CID 20735417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).