ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate

C10H17NO4 — CID 19607548

IUPACethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCC(=O)N(CCO)C1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-3-4-9(13)11(7-8)5-6-12/h8,12H,2-7H2,1H3
InChIKeyAHYDWEQDMRZJKA-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.22
Rot. Bonds4

About ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate

ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate (PubChem CID 19607548) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate
PubChem CID19607548
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCC(=O)N(CCO)C1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-3-4-9(13)11(7-8)5-6-12/h8,12H,2-7H2,1H3
InChIKeyAHYDWEQDMRZJKA-UHFFFAOYSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate (CID 19607548) is ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate is CCOC(=O)C1CCC(=O)N(CCO)C1.
What is the InChIKey of ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is AHYDWEQDMRZJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-4-9(13)11(7-8)5-6-12/h8,12H,2-7H2,1H3.
What are the key properties of ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate?
ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 19607548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).