methane;1,1,4-trimethylpiperazin-1-ium

C8H21N2+ — CID 160518182

IUPACmethane;1,1,4-trimethylpiperazin-1-ium
SMILESC.CN1CC[N+](C)(C)CC1
InChIInChI=1S/C7H17N2.CH4/c1-8-4-6-9(2,3)7-5-8;/h4-7H2,1-3H3;1H4/q+1;
InChIKeyJZUOOEIVWSWGIM-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.64
Rot. Bonds

About methane;1,1,4-trimethylpiperazin-1-ium

methane;1,1,4-trimethylpiperazin-1-ium (PubChem CID 160518182) has the molecular formula C8H21N2+ and a molecular weight of 145.27 g/mol. Its IUPAC name is methane;1,1,4-trimethylpiperazin-1-ium.

Molecular Properties

Compound Namemethane;1,1,4-trimethylpiperazin-1-ium
PubChem CID160518182
Molecular FormulaC8H21N2+
Molecular Weight145.27 g/mol
Exact Mass145.17
IUPAC Namemethane;1,1,4-trimethylpiperazin-1-ium
SMILESC.CN1CC[N+](C)(C)CC1
InChIInChI=1S/C7H17N2.CH4/c1-8-4-6-9(2,3)7-5-8;/h4-7H2,1-3H3;1H4/q+1;
InChIKeyJZUOOEIVWSWGIM-UHFFFAOYSA-N
XLogP0.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
1-tert-butyl-1,4-dimethylpiperazin-1-ium
CID 58529148
1,1-dimethylaziridin-1-ium iodide
CID 88764737
1,1-dimethyl-4-propylpiperazin-1-ium chloride
CID 139730617
1-(1,4-dimethylpiperazin-1-ium-1-yl)ethanone
CID 54094876
1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
CID 156599398
4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium diiodide
CID 3065014
ethane;4,7,7-trimethyl-4-aza-7-azoniaspiro[2.5]octane;3,3,9-trimethyl-9-aza-3-azoniaspiro[5.5]undecane
CID 177322031
4-(2-chloroethyl)-1,1-dimethylpiperazin-1-ium chloride
CID 84819689
1-(2-iodoethyl)-1,4-dimethylpiperazin-1-ium
CID 130433567
6-(dimethylamino)hexyl-trimethylazanium;4,4-dimethylmorpholin-4-ium;1,4-dimethylpiperazine;methane;1,1,4,4-tetramethylpiperazine-1,4-diium;1,1,4-trimethylpiperazin-1-ium;trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
CID 158149119
1-(2-bromoethyl)-1,4-dimethylpiperazin-1-ium iodide
CID 21465026

Frequently Asked Questions

What is the IUPAC name of methane;1,1,4-trimethylpiperazin-1-ium?
The IUPAC name of methane;1,1,4-trimethylpiperazin-1-ium (CID 160518182) is methane;1,1,4-trimethylpiperazin-1-ium.
What is the SMILES notation for methane;1,1,4-trimethylpiperazin-1-ium?
The canonical SMILES for methane;1,1,4-trimethylpiperazin-1-ium is C.CN1CC[N+](C)(C)CC1.
What is the InChIKey of methane;1,1,4-trimethylpiperazin-1-ium?
The InChIKey is JZUOOEIVWSWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2.CH4/c1-8-4-6-9(2,3)7-5-8;/h4-7H2,1-3H3;1H4/q+1;.
What are the key properties of methane;1,1,4-trimethylpiperazin-1-ium?
methane;1,1,4-trimethylpiperazin-1-ium has a molecular weight of 145.27 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,4-trimethylpiperazin-1-ium is sourced from PubChem (CID 160518182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).