1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine

C17H31NO2 — CID 175436009

IUPAC1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/COC1CC(C)(C)N(OC/C=C/C)C(C)(C)C1
InChIInChI=1S/C17H31NO2/c1-7-9-11-19-15-13-16(3,4)18(17(5,6)14-15)20-12-10-8-2/h7-10,15H,11-14H2,1-6H3/b9-7+,10-8+
InChIKeyCMEBVWZRLJEEEK-FIFLTTCUSA-N
MW281.44 g/mol
LogP4.11
Rot. Bonds6

About 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine

1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 175436009) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID175436009
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/COC1CC(C)(C)N(OC/C=C/C)C(C)(C)C1
InChIInChI=1S/C17H31NO2/c1-7-9-11-19-15-13-16(3,4)18(17(5,6)14-15)20-12-10-8-2/h7-10,15H,11-14H2,1-6H3/b9-7+,10-8+
InChIKeyCMEBVWZRLJEEEK-FIFLTTCUSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
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 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine (CID 175436009) is 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine is C/C=C/COC1CC(C)(C)N(OC/C=C/C)C(C)(C)C1.
What is the InChIKey of 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is CMEBVWZRLJEEEK-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H31NO2/c1-7-9-11-19-15-13-16(3,4)18(17(5,6)14-15)20-12-10-8-2/h7-10,15H,11-14H2,1-6H3/b9-7+,10-8+.
What are the key properties of 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 281.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 175436009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).