ethyl 2-hydroxyimino-2-piperidin-1-ylacetate

C9H16N2O3 — CID 53396291

IUPACethyl 2-hydroxyimino-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(=NO)N1CCCCC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(12)8(10-13)11-6-4-3-5-7-11/h13H,2-7H2,1H3
InChIKeyFZDWJXCSMDRPCX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.82
Rot. Bonds1

About ethyl 2-hydroxyimino-2-piperidin-1-ylacetate

ethyl 2-hydroxyimino-2-piperidin-1-ylacetate (PubChem CID 53396291) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-2-piperidin-1-ylacetate
PubChem CID53396291
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-hydroxyimino-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(=NO)N1CCCCC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(12)8(10-13)11-6-4-3-5-7-11/h13H,2-7H2,1H3
InChIKeyFZDWJXCSMDRPCX-UHFFFAOYSA-N
XLogP0.82
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
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propyl azepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyimino-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-hydroxyimino-2-piperidin-1-ylacetate (CID 53396291) is ethyl 2-hydroxyimino-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-hydroxyimino-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-hydroxyimino-2-piperidin-1-ylacetate is CCOC(=O)C(=NO)N1CCCCC1.
What is the InChIKey of ethyl 2-hydroxyimino-2-piperidin-1-ylacetate?
The InChIKey is FZDWJXCSMDRPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(12)8(10-13)11-6-4-3-5-7-11/h13H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxyimino-2-piperidin-1-ylacetate?
ethyl 2-hydroxyimino-2-piperidin-1-ylacetate has a molecular weight of 200.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-2-piperidin-1-ylacetate is sourced from PubChem (CID 53396291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).