ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate

C11H19NO4 — CID 10421345

IUPACethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CC2CO2)CC1
InChIInChI=1S/C11H19NO4/c1-2-15-10(13)12-5-3-11(14,4-6-12)7-9-8-16-9/h9,14H,2-8H2,1H3
InChIKeyOMYLRUMOJYMJKE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.76
Rot. Bonds3

About ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate

ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 10421345) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
PubChem CID10421345
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CC2CO2)CC1
InChIInChI=1S/C11H19NO4/c1-2-15-10(13)12-5-3-11(14,4-6-12)7-9-8-16-9/h9,14H,2-8H2,1H3
InChIKeyOMYLRUMOJYMJKE-UHFFFAOYSA-N
XLogP0.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 132776814
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 75485633
ethyl 4-methyl-4-propylazepane-1-carboxylate
CID 146751878
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate (CID 10421345) is ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(CC2CO2)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is OMYLRUMOJYMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-15-10(13)12-5-3-11(14,4-6-12)7-9-8-16-9/h9,14H,2-8H2,1H3.
What are the key properties of ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10421345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).