ethyl 3-(4-hydroxypiperidin-1-yl)butanoate

C11H21NO3 — CID 56994099

IUPACethyl 3-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)8-9(2)12-6-4-10(13)5-7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyQBPUDDWKXHUTMK-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds4

About ethyl 3-(4-hydroxypiperidin-1-yl)butanoate

ethyl 3-(4-hydroxypiperidin-1-yl)butanoate (PubChem CID 56994099) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-(4-hydroxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxypiperidin-1-yl)butanoate
PubChem CID56994099
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)8-9(2)12-6-4-10(13)5-7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyQBPUDDWKXHUTMK-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxypiperidin-1-yl)butanoate?
The IUPAC name of ethyl 3-(4-hydroxypiperidin-1-yl)butanoate (CID 56994099) is ethyl 3-(4-hydroxypiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-(4-hydroxypiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 3-(4-hydroxypiperidin-1-yl)butanoate is CCOC(=O)CC(C)N1CCC(O)CC1.
What is the InChIKey of ethyl 3-(4-hydroxypiperidin-1-yl)butanoate?
The InChIKey is QBPUDDWKXHUTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-11(14)8-9(2)12-6-4-10(13)5-7-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(4-hydroxypiperidin-1-yl)butanoate?
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxypiperidin-1-yl)butanoate is sourced from PubChem (CID 56994099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).