4-butyl-1-nonylpiperidin-1-ium chloride

C18H38ClN — CID 171570141

IUPAC4-butyl-1-nonylpiperidin-1-ium chloride
SMILESCCCCCCCCC[NH+]1CCC(CCCC)CC1.[Cl-]
InChIInChI=1S/C18H37N.ClH/c1-3-5-7-8-9-10-11-15-19-16-13-18(14-17-19)12-6-4-2;/h18H,3-17H2,1-2H3;1H
InChIKeyRARNVQPKODLXBE-UHFFFAOYSA-N
MW303.96 g/mol
LogP1.23
Rot. Bonds11

About 4-butyl-1-nonylpiperidin-1-ium chloride

4-butyl-1-nonylpiperidin-1-ium chloride (PubChem CID 171570141) has the molecular formula C18H38ClN and a molecular weight of 303.96 g/mol. Its IUPAC name is 4-butyl-1-nonylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4-butyl-1-nonylpiperidin-1-ium chloride
PubChem CID171570141
Molecular FormulaC18H38ClN
Molecular Weight303.96 g/mol
Exact Mass303.27
IUPAC Name4-butyl-1-nonylpiperidin-1-ium chloride
SMILESCCCCCCCCC[NH+]1CCC(CCCC)CC1.[Cl-]
InChIInChI=1S/C18H37N.ClH/c1-3-5-7-8-9-10-11-15-19-16-13-18(14-17-19)12-6-4-2;/h18H,3-17H2,1-2H3;1H
InChIKeyRARNVQPKODLXBE-UHFFFAOYSA-N
XLogP1.23
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.96
LogP ≤ 51.23
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

4-butyl-1-octylpiperidin-1-ium cyanide
CID 171571334
3-butyl-1-undecylpyrrolidin-1-ium chloride
CID 171571284
4-butyl-1-heptylpiperidin-1-ium;methanesulfonate
CID 171570444
4-butyl-1-dodecylpiperidin-1-ium;methanesulfonate
CID 171570617
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911
3-butyl-1-pentylpyrrolidin-1-ium fluoride
CID 171570680
4-methyl-1-undecylpiperidin-1-ium chloride
CID 171569637
1,3-di(tridecyl)pyrrolidin-1-ium bromide
CID 162511807
1,3-di(nonadecyl)pyrrolidin-1-ium bromide
CID 162511830
1-octyl-4-propylpiperidin-1-ium acetate
CID 171569689
1-heptyl-4-propylpiperidin-1-ium acetate
CID 171571623

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-nonylpiperidin-1-ium chloride?
The IUPAC name of 4-butyl-1-nonylpiperidin-1-ium chloride (CID 171570141) is 4-butyl-1-nonylpiperidin-1-ium chloride.
What is the SMILES notation for 4-butyl-1-nonylpiperidin-1-ium chloride?
The canonical SMILES for 4-butyl-1-nonylpiperidin-1-ium chloride is CCCCCCCCC[NH+]1CCC(CCCC)CC1.[Cl-].
What is the InChIKey of 4-butyl-1-nonylpiperidin-1-ium chloride?
The InChIKey is RARNVQPKODLXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.ClH/c1-3-5-7-8-9-10-11-15-19-16-13-18(14-17-19)12-6-4-2;/h18H,3-17H2,1-2H3;1H.
What are the key properties of 4-butyl-1-nonylpiperidin-1-ium chloride?
4-butyl-1-nonylpiperidin-1-ium chloride has a molecular weight of 303.96 g/mol, XLogP of 1.23, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-nonylpiperidin-1-ium chloride is sourced from PubChem (CID 171570141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).