4-ethenoxy-1,2,2,6,6-pentamethylpiperidine

C12H23NO — CID 3018643

IUPAC4-ethenoxy-1,2,2,6,6-pentamethylpiperidine
SMILESC=COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-7-14-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3
InChIKeyOJQZHTMCZVPUCF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds2

About 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine

4-ethenoxy-1,2,2,6,6-pentamethylpiperidine (PubChem CID 3018643) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-ethenoxy-1,2,2,6,6-pentamethylpiperidine
PubChem CID3018643
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-ethenoxy-1,2,2,6,6-pentamethylpiperidine
SMILESC=COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-7-14-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3
InChIKeyOJQZHTMCZVPUCF-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine (CID 3018643) is 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine is C=COC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is OJQZHTMCZVPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-14-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3.
What are the key properties of 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine?
4-ethenoxy-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 3018643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).