1,3-di(nonyl)piperidin-1-ium bromide

C23H48BrN — CID 162511915

IUPAC1,3-di(nonyl)piperidin-1-ium bromide
SMILESCCCCCCCCCC1CCC[NH+](CCCCCCCCC)C1.[Br-]
InChIInChI=1S/C23H47N.BrH/c1-3-5-7-9-11-13-15-18-23-19-17-21-24(22-23)20-16-14-12-10-8-6-4-2;/h23H,3-22H2,1-2H3;1H
InChIKeyYXENSYMOVGWJPA-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.18
Rot. Bonds16

About 1,3-di(nonyl)piperidin-1-ium bromide

1,3-di(nonyl)piperidin-1-ium bromide (PubChem CID 162511915) has the molecular formula C23H48BrN and a molecular weight of 418.55 g/mol. Its IUPAC name is 1,3-di(nonyl)piperidin-1-ium bromide.

Molecular Properties

Compound Name1,3-di(nonyl)piperidin-1-ium bromide
PubChem CID162511915
Molecular FormulaC23H48BrN
Molecular Weight418.55 g/mol
Exact Mass417.30
IUPAC Name1,3-di(nonyl)piperidin-1-ium bromide
SMILESCCCCCCCCCC1CCC[NH+](CCCCCCCCC)C1.[Br-]
InChIInChI=1S/C23H47N.BrH/c1-3-5-7-9-11-13-15-18-23-19-17-21-24(22-23)20-16-14-12-10-8-6-4-2;/h23H,3-22H2,1-2H3;1H
InChIKeyYXENSYMOVGWJPA-UHFFFAOYSA-N
XLogP3.18
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(icosyl)piperidin-1-ium bromide
CID 162511793
1,3-di(nonadecyl)piperidin-1-ium chloride
CID 162511824
3-butyl-1-pentylpiperidin-1-ium chloride
CID 171570455
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494
1,3-di(tridecyl)pyrrolidin-1-ium bromide
CID 162511807
1,3-di(nonadecyl)pyrrolidin-1-ium bromide
CID 162511830
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911
3-butyl-1-propylpiperidin-1-ium fluoride
CID 171570345
3-ethyl-1-hexylpiperidin-1-ium cyanide
CID 171569610
1-dodecyl-3-ethylpiperidin-1-ium cyanide
CID 171569818
3-butyl-1-undecylpyrrolidin-1-ium chloride
CID 171571284
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275

Frequently Asked Questions

What is the IUPAC name of 1,3-di(nonyl)piperidin-1-ium bromide?
The IUPAC name of 1,3-di(nonyl)piperidin-1-ium bromide (CID 162511915) is 1,3-di(nonyl)piperidin-1-ium bromide.
What is the SMILES notation for 1,3-di(nonyl)piperidin-1-ium bromide?
The canonical SMILES for 1,3-di(nonyl)piperidin-1-ium bromide is CCCCCCCCCC1CCC[NH+](CCCCCCCCC)C1.[Br-].
What is the InChIKey of 1,3-di(nonyl)piperidin-1-ium bromide?
The InChIKey is YXENSYMOVGWJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N.BrH/c1-3-5-7-9-11-13-15-18-23-19-17-21-24(22-23)20-16-14-12-10-8-6-4-2;/h23H,3-22H2,1-2H3;1H.
What are the key properties of 1,3-di(nonyl)piperidin-1-ium bromide?
1,3-di(nonyl)piperidin-1-ium bromide has a molecular weight of 418.55 g/mol, XLogP of 3.18, 16 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(nonyl)piperidin-1-ium bromide is sourced from PubChem (CID 162511915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).