1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten

C12H27N2W+ — CID 158402178

IUPAC1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
SMILESCN1CCCC1.C[N+]1(C)CCCCC1.[W]
InChIInChI=1S/C7H16N.C5H11N.W/c1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-6;/h3-7H2,1-2H3;2-5H2,1H3;/q+1;;
InChIKeyVQQYCHMLDGUJNT-UHFFFAOYSA-N
MW383.20 g/mol
LogP1.96
Rot. Bonds

About 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten

1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten (PubChem CID 158402178) has the molecular formula C12H27N2W+ and a molecular weight of 383.20 g/mol. Its IUPAC name is 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten.

Molecular Properties

Compound Name1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
PubChem CID158402178
Molecular FormulaC12H27N2W+
Molecular Weight383.20 g/mol
Exact Mass383.17
IUPAC Name1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
SMILESCN1CCCC1.C[N+]1(C)CCCCC1.[W]
InChIInChI=1S/C7H16N.C5H11N.W/c1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-6;/h3-7H2,1-2H3;2-5H2,1H3;/q+1;;
InChIKeyVQQYCHMLDGUJNT-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 51.96
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

cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
ethane;1-methylazonane
CID 145157770
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
CID 68772535
CID 68772535
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
methane;tris(1-methylpiperidine)
CID 162076357
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten?
The IUPAC name of 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten (CID 158402178) is 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten.
What is the SMILES notation for 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten?
The canonical SMILES for 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten is CN1CCCC1.C[N+]1(C)CCCCC1.[W].
What is the InChIKey of 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten?
The InChIKey is VQQYCHMLDGUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C5H11N.W/c1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-6;/h3-7H2,1-2H3;2-5H2,1H3;/q+1;;.
What are the key properties of 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten?
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten has a molecular weight of 383.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten is sourced from PubChem (CID 158402178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).