ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate

C13H23NO3 — CID 64541399

IUPACethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CCOC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)10-13(6-9-16-11-13)14-7-4-3-5-8-14/h2-11H2,1H3
InChIKeyQVIYXXLZXMUKAL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.58
Rot. Bonds4

About ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate

ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate (PubChem CID 64541399) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate
PubChem CID64541399
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CCOC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)10-13(6-9-16-11-13)14-7-4-3-5-8-14/h2-11H2,1H3
InChIKeyQVIYXXLZXMUKAL-UHFFFAOYSA-N
XLogP1.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate (CID 64541399) is ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate is CCOC(=O)CC1(N2CCCCC2)CCOC1.
What is the InChIKey of ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate?
The InChIKey is QVIYXXLZXMUKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-12(15)10-13(6-9-16-11-13)14-7-4-3-5-8-14/h2-11H2,1H3.
What are the key properties of ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate?
ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-piperidin-1-yloxolan-3-yl)acetate is sourced from PubChem (CID 64541399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).