1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium

C11H24N2+2 — CID 173422491

IUPAC1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium
SMILESC[NH+]1CCCC1[N+]1(C)CCCCC1
InChIInChI=1S/C11H23N2/c1-12-8-6-7-11(12)13(2)9-4-3-5-10-13/h11H,3-10H2,1-2H3/q+1/p+1
InChIKeyYRAJXZBAKGGGDU-UHFFFAOYSA-O
MW184.33 g/mol
LogP0.25
Rot. Bonds1

About 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium

1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium (PubChem CID 173422491) has the molecular formula C11H24N2+2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium
PubChem CID173422491
Molecular FormulaC11H24N2+2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium
SMILESC[NH+]1CCCC1[N+]1(C)CCCCC1
InChIInChI=1S/C11H23N2/c1-12-8-6-7-11(12)13(2)9-4-3-5-10-13/h11H,3-10H2,1-2H3/q+1/p+1
InChIKeyYRAJXZBAKGGGDU-UHFFFAOYSA-O
XLogP0.25
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclodecyl-1-methylpyrrolidin-1-ium
CID 20725318
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
CID 118976632
1,4-dimethyl-2,3,5,6,7,8,9,9a-octahydroimidazo[1,2-a]azepin-4-ium
CID 70559144
1-cycloheptyl-1-methyl-1,4-diazepan-1-ium
CID 22055632
cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
1-methyl-1-(oxan-3-yl)piperidin-1-ium iodide
CID 3049313
5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-carbonitrile
CID 3454607
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyrrolidin-1-ium diiodide
CID 154810955
(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-carbonitrile iodide
CID 52994093
3-(1-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide iodide
CID 21206508
(2R)-1-methylpyrrolidin-1-ium-2-carboxylate
CID 6951136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium (CID 173422491) is 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium is C[NH+]1CCCC1[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium?
The InChIKey is YRAJXZBAKGGGDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N2/c1-12-8-6-7-11(12)13(2)9-4-3-5-10-13/h11H,3-10H2,1-2H3/q+1/p+1.
What are the key properties of 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium?
1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium has a molecular weight of 184.33 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpyrrolidin-1-ium-2-yl)piperidin-1-ium is sourced from PubChem (CID 173422491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).