ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate

C11H19NO3 — CID 10330841

IUPACethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(O)CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO3/c1-3-5-11(14)6-8-12(9-7-11)10(13)15-4-2/h3,14H,1,4-9H2,2H3
InChIKeyOELBZGFUOQUWAG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds3

About ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate

ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate (PubChem CID 10330841) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
PubChem CID10330841
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(O)CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO3/c1-3-5-11(14)6-8-12(9-7-11)10(13)15-4-2/h3,14H,1,4-9H2,2H3
InChIKeyOELBZGFUOQUWAG-UHFFFAOYSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate (CID 10330841) is ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate is C=CCC1(O)CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is OELBZGFUOQUWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-11(14)6-8-12(9-7-11)10(13)15-4-2/h3,14H,1,4-9H2,2H3.
What are the key properties of ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate?
ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 10330841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).