2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol

C9H22N2O+2 — CID 7330451

IUPAC2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol
SMILESCC(C)[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3/p+2
InChIKeyKDYNMWFSJAIPSW-UHFFFAOYSA-P
MW174.29 g/mol
LogP-2.83
Rot. Bonds3

About 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol

2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol (PubChem CID 7330451) has the molecular formula C9H22N2O+2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol
PubChem CID7330451
Molecular FormulaC9H22N2O+2
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol
SMILESCC(C)[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3/p+2
InChIKeyKDYNMWFSJAIPSW-UHFFFAOYSA-P
XLogP-2.83
TPSA29.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-2.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 4742964
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
CID 19792725
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4744187
1-(2,4-dichlorophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 4743647
5-[(R)-(3-fluorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105085
2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol
CID 7758908
4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethylchromen-2-one
CID 2028408
(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide
CID 7986990
[(2R)-4-(azepan-1-ium-1-yl)butan-2-yl]azanium
CID 7219851
butan-2-ol;methane;pentan-3-ol
CID 160881005
propane-1,2-diol;silver
CID 158521790

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol (CID 7330451) is 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol is CC(C)[NH+]1CC[NH+](CCO)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol?
The InChIKey is KDYNMWFSJAIPSW-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3/p+2.
What are the key properties of 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol?
2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol has a molecular weight of 174.29 g/mol, XLogP of -2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol is sourced from PubChem (CID 7330451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).