1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium

C16H34N2+2 — CID 54148604

IUPAC1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium
SMILESCCC[N+]1(C)CCC(C2CC[N+](C)(C)CC2)CC1
InChIInChI=1S/C16H34N2/c1-5-10-18(4)13-8-16(9-14-18)15-6-11-17(2,3)12-7-15/h15-16H,5-14H2,1-4H3/q+2
InChIKeyOGDIAWPJXAGJJL-UHFFFAOYSA-N
MW254.46 g/mol
LogP2.74
Rot. Bonds3

About 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium

1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium (PubChem CID 54148604) has the molecular formula C16H34N2+2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium
PubChem CID54148604
Molecular FormulaC16H34N2+2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium
SMILESCCC[N+]1(C)CCC(C2CC[N+](C)(C)CC2)CC1
InChIInChI=1S/C16H34N2/c1-5-10-18(4)13-8-16(9-14-18)15-6-11-17(2,3)12-7-15/h15-16H,5-14H2,1-4H3/q+2
InChIKeyOGDIAWPJXAGJJL-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
9,9-Diethyl-3-hexyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 44340721
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1-Methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11539395
1-Methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11583539
1-Methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;dihydrochloride
CID 11641730
1-Heptadecyl-4-(1-methylpiperidin-4-yl)piperidine;dihydrochloride
CID 11691716
1-Heptyl-4-piperidin-4-ylpiperidine
CID 44592883
1-Nonyl-4-piperidin-4-ylpiperidine
CID 44592884
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
3-Ethyl-1-azabicyclo[2.2.2]octane
CID 359210
1,4-Di-(3-methylpiperidino)butane dihydrochloride
CID 13794402

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium?
The IUPAC name of 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium (CID 54148604) is 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium?
The canonical SMILES for 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium is CCC[N+]1(C)CCC(C2CC[N+](C)(C)CC2)CC1.
What is the InChIKey of 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium?
The InChIKey is OGDIAWPJXAGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-10-18(4)13-8-16(9-14-18)15-6-11-17(2,3)12-7-15/h15-16H,5-14H2,1-4H3/q+2.
What are the key properties of 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium?
1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium has a molecular weight of 254.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium is sourced from PubChem (CID 54148604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).