2,2-dibutyl-1,1-dimethylpiperazin-1-ium

C14H31N2+ — CID 67229366

IUPAC2,2-dibutyl-1,1-dimethylpiperazin-1-ium
SMILESCCCCC1(CCCC)CNCC[N+]1(C)C
InChIInChI=1S/C14H31N2/c1-5-7-9-14(10-8-6-2)13-15-11-12-16(14,3)4/h15H,5-13H2,1-4H3/q+1
InChIKeyJGVDVNVJYFRIHH-UHFFFAOYSA-N
MW227.42 g/mol
LogP2.79
Rot. Bonds6

About 2,2-dibutyl-1,1-dimethylpiperazin-1-ium

2,2-dibutyl-1,1-dimethylpiperazin-1-ium (PubChem CID 67229366) has the molecular formula C14H31N2+ and a molecular weight of 227.42 g/mol. Its IUPAC name is 2,2-dibutyl-1,1-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name2,2-dibutyl-1,1-dimethylpiperazin-1-ium
PubChem CID67229366
Molecular FormulaC14H31N2+
Molecular Weight227.42 g/mol
Exact Mass227.25
IUPAC Name2,2-dibutyl-1,1-dimethylpiperazin-1-ium
SMILESCCCCC1(CCCC)CNCC[N+]1(C)C
InChIInChI=1S/C14H31N2/c1-5-7-9-14(10-8-6-2)13-15-11-12-16(14,3)4/h15H,5-13H2,1-4H3/q+1
InChIKeyJGVDVNVJYFRIHH-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67228955
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3-butyl-3-fluoropyrrolidine
CID 112564219
bis(1,1,2,2-tetraethylpiperazin-1-ium) dichloride
CID 159401690
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
CID 142638690
sodium;boranuide;3,3-dibutylpiperidin-4-ol
CID 173274900
2,7-diazaspiro[3.4]octane;propane
CID 177136819
4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 86633674
3-decyl-3-ethylazetidine
CID 79451957

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-1,1-dimethylpiperazin-1-ium?
The IUPAC name of 2,2-dibutyl-1,1-dimethylpiperazin-1-ium (CID 67229366) is 2,2-dibutyl-1,1-dimethylpiperazin-1-ium.
What is the SMILES notation for 2,2-dibutyl-1,1-dimethylpiperazin-1-ium?
The canonical SMILES for 2,2-dibutyl-1,1-dimethylpiperazin-1-ium is CCCCC1(CCCC)CNCC[N+]1(C)C.
What is the InChIKey of 2,2-dibutyl-1,1-dimethylpiperazin-1-ium?
The InChIKey is JGVDVNVJYFRIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2/c1-5-7-9-14(10-8-6-2)13-15-11-12-16(14,3)4/h15H,5-13H2,1-4H3/q+1.
What are the key properties of 2,2-dibutyl-1,1-dimethylpiperazin-1-ium?
2,2-dibutyl-1,1-dimethylpiperazin-1-ium has a molecular weight of 227.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-1,1-dimethylpiperazin-1-ium is sourced from PubChem (CID 67229366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).