1-dodecyl-1,4-dimethylpiperazin-1-ium

C18H39N2+ — CID 68979496

IUPAC1-dodecyl-1,4-dimethylpiperazin-1-ium
SMILESCCCCCCCCCCCC[N+]1(C)CCN(C)CC1
InChIInChI=1S/C18H39N2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)17-14-19(2)15-18-20/h4-18H2,1-3H3/q+1
InChIKeyKIYSXQLVGAGQLK-UHFFFAOYSA-N
MW283.52 g/mol
LogP4.30
Rot. Bonds11

About 1-dodecyl-1,4-dimethylpiperazin-1-ium

1-dodecyl-1,4-dimethylpiperazin-1-ium (PubChem CID 68979496) has the molecular formula C18H39N2+ and a molecular weight of 283.52 g/mol. Its IUPAC name is 1-dodecyl-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-dodecyl-1,4-dimethylpiperazin-1-ium
PubChem CID68979496
Molecular FormulaC18H39N2+
Molecular Weight283.52 g/mol
Exact Mass283.31
IUPAC Name1-dodecyl-1,4-dimethylpiperazin-1-ium
SMILESCCCCCCCCCCCC[N+]1(C)CCN(C)CC1
InChIInChI=1S/C18H39N2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)17-14-19(2)15-18-20/h4-18H2,1-3H3/q+1
InChIKeyKIYSXQLVGAGQLK-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-dodecyl-1,4-dimethylpiperazin-1-ium (CID 68979496) is 1-dodecyl-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-dodecyl-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-dodecyl-1,4-dimethylpiperazin-1-ium is CCCCCCCCCCCC[N+]1(C)CCN(C)CC1.
What is the InChIKey of 1-dodecyl-1,4-dimethylpiperazin-1-ium?
The InChIKey is KIYSXQLVGAGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)17-14-19(2)15-18-20/h4-18H2,1-3H3/q+1.
What are the key properties of 1-dodecyl-1,4-dimethylpiperazin-1-ium?
1-dodecyl-1,4-dimethylpiperazin-1-ium has a molecular weight of 283.52 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 68979496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).