1-ethyl-1,4-dimethylpiperazin-1-ium

C8H19N2+ — CID 19774336

IUPAC1-ethyl-1,4-dimethylpiperazin-1-ium
SMILESCC[N+]1(C)CCN(C)CC1
InChIInChI=1S/C8H19N2/c1-4-10(3)7-5-9(2)6-8-10/h4-8H2,1-3H3/q+1
InChIKeyRKLZPMDBTNCDQN-UHFFFAOYSA-N
MW143.25 g/mol
LogP0.40
Rot. Bonds1

About 1-ethyl-1,4-dimethylpiperazin-1-ium

1-ethyl-1,4-dimethylpiperazin-1-ium (PubChem CID 19774336) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-ethyl-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,4-dimethylpiperazin-1-ium
PubChem CID19774336
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Name1-ethyl-1,4-dimethylpiperazin-1-ium
SMILESCC[N+]1(C)CCN(C)CC1
InChIInChI=1S/C8H19N2/c1-4-10(3)7-5-9(2)6-8-10/h4-8H2,1-3H3/q+1
InChIKeyRKLZPMDBTNCDQN-UHFFFAOYSA-N
XLogP0.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.40
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

Pentamethyldiethylenetriamine
CID 18196
1,4-Dimethylpiperazine
CID 7818
1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
CID 66908
N,N'-diethyl-N,N'-dimethylethylenediamine
CID 66942
1,2-Ethanediamine, N1,N1-diethyl-N2,N2-dimethyl-
CID 67153
1,2-Ethanediamine, N1,N1,N2,N2-tetraethyl-
CID 67423
1,4-Diethylpiperazine
CID 80973
2-(4-Ethylpiperazin-1-yl)ethan-1-amine
CID 776622
1,4-Diisopropylpiperazine
CID 204266
1-Ethyl-4-methylpiperazine
CID 12229105
2,2'-(Piperazine-1,4-diyl)bis(N,N,N-trimethylethan-1-aminium) diiodide
CID 60336
1,1,4,4-Tetramethylpiperazine-1,4-diium dibromide
CID 212816

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-ethyl-1,4-dimethylpiperazin-1-ium (CID 19774336) is 1-ethyl-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-ethyl-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-ethyl-1,4-dimethylpiperazin-1-ium is CC[N+]1(C)CCN(C)CC1.
What is the InChIKey of 1-ethyl-1,4-dimethylpiperazin-1-ium?
The InChIKey is RKLZPMDBTNCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2/c1-4-10(3)7-5-9(2)6-8-10/h4-8H2,1-3H3/q+1.
What are the key properties of 1-ethyl-1,4-dimethylpiperazin-1-ium?
1-ethyl-1,4-dimethylpiperazin-1-ium has a molecular weight of 143.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 19774336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).