1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine

C26H33Br2NO — CID 164679533

IUPAC1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC=CCC(CON1C(C)(C)CCCC1(C)C)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C26H33Br2NO/c1-6-16-26(20-8-12-22(27)13-9-20,21-10-14-23(28)15-11-21)19-30-29-24(2,3)17-7-18-25(29,4)5/h6,8-15H,1,7,16-19H2,2-5H3
InChIKeyYWLUWXPZVFFOOH-UHFFFAOYSA-N
MW535.36 g/mol
LogP8.05
Rot. Bonds7

About 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine

1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 164679533) has the molecular formula C26H33Br2NO and a molecular weight of 535.36 g/mol. Its IUPAC name is 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID164679533
Molecular FormulaC26H33Br2NO
Molecular Weight535.36 g/mol
Exact Mass533.09
IUPAC Name1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC=CCC(CON1C(C)(C)CCCC1(C)C)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C26H33Br2NO/c1-6-16-26(20-8-12-22(27)13-9-20,21-10-14-23(28)15-11-21)19-30-29-24(2,3)17-7-18-25(29,4)5/h6,8-15H,1,7,16-19H2,2-5H3
InChIKeyYWLUWXPZVFFOOH-UHFFFAOYSA-N
XLogP8.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.36
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine (CID 164679533) is 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine is C=CCC(CON1C(C)(C)CCCC1(C)C)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is YWLUWXPZVFFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Br2NO/c1-6-16-26(20-8-12-22(27)13-9-20,21-10-14-23(28)15-11-21)19-30-29-24(2,3)17-7-18-25(29,4)5/h6,8-15H,1,7,16-19H2,2-5H3.
What are the key properties of 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine?
1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 535.36 g/mol, XLogP of 8.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-bromophenyl)pent-4-enoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 164679533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).