1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium

C15H32N2+2 — CID 3048570

IUPAC1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCCCC2)CC1
InChIInChI=1S/C15H32N2/c1-16(2)12-7-15(8-13-16)9-14-17(3)10-5-4-6-11-17/h15H,4-14H2,1-3H3/q+2
InChIKeyFFESEMSKKAZXKM-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.49
Rot. Bonds3

About 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium

1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium (PubChem CID 3048570) has the molecular formula C15H32N2+2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
PubChem CID3048570
Molecular FormulaC15H32N2+2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCCCC2)CC1
InChIInChI=1S/C15H32N2/c1-16(2)12-7-15(8-13-16)9-14-17(3)10-5-4-6-11-17/h15H,4-14H2,1-3H3/q+2
InChIKeyFFESEMSKKAZXKM-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.49
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

1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride
CID 155480
4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Methyl-1-azoniabicyclo[2.2.2]octane
CID 155481
1-Propyl-4-methylpiperidine
CID 4100429
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
Piperidinium, 1-ethyl-4-(2-(ethyldimethylammonio)ethyl)-1-methyl-, diiodide
CID 3048287
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1-Methyl-1-azabicyclo[2.2.2]octan-1-ium iodide
CID 12443630
1,3-Di-(3-methylpiperidino)propane dihydrochloride
CID 13610537
1,4-Di-(3-methylpiperidino)butane dihydrochloride
CID 13794402

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The IUPAC name of 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium (CID 3048570) is 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The canonical SMILES for 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium is C[N+]1(C)CCC(CC[N+]2(C)CCCCC2)CC1.
What is the InChIKey of 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The InChIKey is FFESEMSKKAZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-16(2)12-7-15(8-13-16)9-14-17(3)10-5-4-6-11-17/h15H,4-14H2,1-3H3/q+2.
What are the key properties of 1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
1,1-dimethyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium has a molecular weight of 240.43 g/mol, XLogP of 2.49, 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-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium is sourced from PubChem (CID 3048570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).