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

C11H21NO3 — CID 62395927

IUPACethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CCN(CC)CC1
InChIInChI=1S/C11H21NO3/c1-3-12-7-5-11(14,6-8-12)9-10(13)15-4-2/h14H,3-9H2,1-2H3
InChIKeyPBVJSWBUJAZGAF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds4

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

ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate (PubChem CID 62395927) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
PubChem CID62395927
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CCN(CC)CC1
InChIInChI=1S/C11H21NO3/c1-3-12-7-5-11(14,6-8-12)9-10(13)15-4-2/h14H,3-9H2,1-2H3
InChIKeyPBVJSWBUJAZGAF-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate (CID 62395927) is ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate is CCOC(=O)CC1(O)CCN(CC)CC1.
What is the InChIKey of ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate?
The InChIKey is PBVJSWBUJAZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12-7-5-11(14,6-8-12)9-10(13)15-4-2/h14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate?
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate is sourced from PubChem (CID 62395927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).