2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride

C8H19ClN2O — CID 90239280

IUPAC2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride
SMILESCN1CC[N+](C)(CCO)CC1.[Cl-]
InChIInChI=1S/C8H19N2O.ClH/c1-9-3-5-10(2,6-4-9)7-8-11;/h11H,3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyNGSUBYGZKXXXFB-UHFFFAOYSA-M
MW194.71 g/mol
LogP-3.63
Rot. Bonds2

About 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride

2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride (PubChem CID 90239280) has the molecular formula C8H19ClN2O and a molecular weight of 194.71 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride
PubChem CID90239280
Molecular FormulaC8H19ClN2O
Molecular Weight194.71 g/mol
Exact Mass194.12
IUPAC Name2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride
SMILESCN1CC[N+](C)(CCO)CC1.[Cl-]
InChIInChI=1S/C8H19N2O.ClH/c1-9-3-5-10(2,6-4-9)7-8-11;/h11H,3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyNGSUBYGZKXXXFB-UHFFFAOYSA-M
XLogP-3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 5-3.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
CID 156599398
1-(2-iodoethyl)-1,4-dimethylpiperazin-1-ium
CID 130433567
1-(2-bromoethyl)-1,4-dimethylpiperazin-1-ium iodide
CID 21465026
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol
CID 3031616
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
CID 10539047
1,4-dimethyl-1-tetracosylpiperazin-1-ium
CID 68978139
1-dodecyl-1,4-dimethylpiperazin-1-ium
CID 68979496
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)
CID 159594133
1-(3-azidopropyl)-1,4-dimethylpiperazin-1-ium bromide
CID 22457524
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
1-(1,4-dimethylpiperazin-1-ium-1-yl)ethanone
CID 54094876
N-(3,5-dichloro-4-methylphenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxypropane-1-sulfonamide chloride
CID 18618897

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride?
The IUPAC name of 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride (CID 90239280) is 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride?
The canonical SMILES for 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride is CN1CC[N+](C)(CCO)CC1.[Cl-].
What is the InChIKey of 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride?
The InChIKey is NGSUBYGZKXXXFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2O.ClH/c1-9-3-5-10(2,6-4-9)7-8-11;/h11H,3-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride?
2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride has a molecular weight of 194.71 g/mol, XLogP of -3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride is sourced from PubChem (CID 90239280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).