oxolan-3-ylmethyl 2-piperazin-1-ylacetate

C11H20N2O3 — CID 62311858

IUPACoxolan-3-ylmethyl 2-piperazin-1-ylacetate
SMILESO=C(CN1CCNCC1)OCC1CCOC1
InChIInChI=1S/C11H20N2O3/c14-11(7-13-4-2-12-3-5-13)16-9-10-1-6-15-8-10/h10,12H,1-9H2
InChIKeyDMFMZKCTHBPDQU-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.53
Rot. Bonds4

About oxolan-3-ylmethyl 2-piperazin-1-ylacetate

oxolan-3-ylmethyl 2-piperazin-1-ylacetate (PubChem CID 62311858) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-piperazin-1-ylacetate
PubChem CID62311858
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameoxolan-3-ylmethyl 2-piperazin-1-ylacetate
SMILESO=C(CN1CCNCC1)OCC1CCOC1
InChIInChI=1S/C11H20N2O3/c14-11(7-13-4-2-12-3-5-13)16-9-10-1-6-15-8-10/h10,12H,1-9H2
InChIKeyDMFMZKCTHBPDQU-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-piperazin-1-ylacetate?
The IUPAC name of oxolan-3-ylmethyl 2-piperazin-1-ylacetate (CID 62311858) is oxolan-3-ylmethyl 2-piperazin-1-ylacetate.
What is the SMILES notation for oxolan-3-ylmethyl 2-piperazin-1-ylacetate?
The canonical SMILES for oxolan-3-ylmethyl 2-piperazin-1-ylacetate is O=C(CN1CCNCC1)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 2-piperazin-1-ylacetate?
The InChIKey is DMFMZKCTHBPDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(7-13-4-2-12-3-5-13)16-9-10-1-6-15-8-10/h10,12H,1-9H2.
What are the key properties of oxolan-3-ylmethyl 2-piperazin-1-ylacetate?
oxolan-3-ylmethyl 2-piperazin-1-ylacetate has a molecular weight of 228.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-piperazin-1-ylacetate is sourced from PubChem (CID 62311858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).