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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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).