4-methyl-1-undecylpiperidin-1-ium chloride

C17H36ClN — CID 171569637

IUPAC4-methyl-1-undecylpiperidin-1-ium chloride
SMILESCCCCCCCCCCC[NH+]1CCC(C)CC1.[Cl-]
InChIInChI=1S/C17H35N.ClH/c1-3-4-5-6-7-8-9-10-11-14-18-15-12-17(2)13-16-18;/h17H,3-16H2,1-2H3;1H
InChIKeyNOKFSZUVOOHMPG-UHFFFAOYSA-N
MW289.94 g/mol
LogP0.84
Rot. Bonds10

About 4-methyl-1-undecylpiperidin-1-ium chloride

4-methyl-1-undecylpiperidin-1-ium chloride (PubChem CID 171569637) has the molecular formula C17H36ClN and a molecular weight of 289.94 g/mol. Its IUPAC name is 4-methyl-1-undecylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4-methyl-1-undecylpiperidin-1-ium chloride
PubChem CID171569637
Molecular FormulaC17H36ClN
Molecular Weight289.94 g/mol
Exact Mass289.25
IUPAC Name4-methyl-1-undecylpiperidin-1-ium chloride
SMILESCCCCCCCCCCC[NH+]1CCC(C)CC1.[Cl-]
InChIInChI=1S/C17H35N.ClH/c1-3-4-5-6-7-8-9-10-11-14-18-15-12-17(2)13-16-18;/h17H,3-16H2,1-2H3;1H
InChIKeyNOKFSZUVOOHMPG-UHFFFAOYSA-N
XLogP0.84
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.94
LogP ≤ 50.84
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-heptyl-4-methylpiperidin-1-ium fluoride
CID 171570371
1-dodecyl-4-methylpiperidin-1-ium fluoride
CID 171570519
1-dodecyl-4-methylpiperidin-1-ium;methanesulfonate
CID 171571198
4-butyl-1-nonylpiperidin-1-ium chloride
CID 171570141
1-hexadecyl-3-methylpyrrolidin-1-ium tetrafluoroborate
CID 156625526
4-butyl-1-octylpiperidin-1-ium cyanide
CID 171571334
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911
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
1-heptyl-4-methylpiperazine-1,4-diium
CID 101132983
1-pentylpiperidin-1-ium-4-carboxamide
CID 86308802

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-undecylpiperidin-1-ium chloride?
The IUPAC name of 4-methyl-1-undecylpiperidin-1-ium chloride (CID 171569637) is 4-methyl-1-undecylpiperidin-1-ium chloride.
What is the SMILES notation for 4-methyl-1-undecylpiperidin-1-ium chloride?
The canonical SMILES for 4-methyl-1-undecylpiperidin-1-ium chloride is CCCCCCCCCCC[NH+]1CCC(C)CC1.[Cl-].
What is the InChIKey of 4-methyl-1-undecylpiperidin-1-ium chloride?
The InChIKey is NOKFSZUVOOHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.ClH/c1-3-4-5-6-7-8-9-10-11-14-18-15-12-17(2)13-16-18;/h17H,3-16H2,1-2H3;1H.
What are the key properties of 4-methyl-1-undecylpiperidin-1-ium chloride?
4-methyl-1-undecylpiperidin-1-ium chloride has a molecular weight of 289.94 g/mol, XLogP of 0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-undecylpiperidin-1-ium chloride is sourced from PubChem (CID 171569637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).