1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium

C13H28N2+2 — CID 19788093

IUPAC1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium
SMILESC[N+]1(C[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C13H28N2/c1-14(9-5-3-6-10-14)13-15(2)11-7-4-8-12-15/h3-13H2,1-2H3/q+2
InChIKeyGQOYWBKLFRRZFK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.20
Rot. Bonds2

About 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium

1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium (PubChem CID 19788093) has the molecular formula C13H28N2+2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium
PubChem CID19788093
Molecular FormulaC13H28N2+2
Molecular Weight212.38 g/mol
Exact Mass212.22
IUPAC Name1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium
SMILESC[N+]1(C[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C13H28N2/c1-14(9-5-3-6-10-14)13-15(2)11-7-4-8-12-15/h3-13H2,1-2H3/q+2
InChIKeyGQOYWBKLFRRZFK-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.20
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

Dipiperidinomethane
CID 70151
1,1'-Methylenebis[3-methylpiperidine]
CID 111445
1-Ethyl-1-(piperidinomethyl)piperidinium iodide
CID 3056448
1,5-Di(1-piperidinyl)pentane
CID 240409
1-(1-Piperidin-1-ylethenyl)piperidine
CID 305944
Methanedithione--1,1'-methylenedipiperidine (1/1)
CID 6455760
Di(piperidin-1-yl)methaneselone
CID 10967200
Sdonzwftuggbko-uhfffaoysa-
CID 12430939
Octahydro-1-methyl-1h-pyrido[1,2-a]pyrimidine
CID 11126488
Di(piperidin-1-yl)methanethione
CID 12525376
1,1',1''-Methanetriyltripiperidine
CID 12601920
1-(1-Piperidin-1-ylethyl)piperidine
CID 21930576

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium?
The IUPAC name of 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium (CID 19788093) is 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium?
The canonical SMILES for 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium is C[N+]1(C[N+]2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium?
The InChIKey is GQOYWBKLFRRZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-14(9-5-3-6-10-14)13-15(2)11-7-4-8-12-15/h3-13H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium?
1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium has a molecular weight of 212.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-ium is sourced from PubChem (CID 19788093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).