1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid

C9H22N2O6S — CID 159209648

IUPAC1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid
SMILESCCON1CCN(CC(C)O)CC1.O=S(=O)(O)O
InChIInChI=1S/C9H20N2O2.H2O4S/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;1-5(2,3)4/h9,12H,3-8H2,1-2H3;(H2,1,2,3,4)
InChIKeyKQIGCLAFLYPEHK-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.72
Rot. Bonds4

About 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid

1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid (PubChem CID 159209648) has the molecular formula C9H22N2O6S and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid.

Molecular Properties

Compound Name1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid
PubChem CID159209648
Molecular FormulaC9H22N2O6S
Molecular Weight286.35 g/mol
Exact Mass286.12
IUPAC Name1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid
SMILESCCON1CCN(CC(C)O)CC1.O=S(=O)(O)O
InChIInChI=1S/C9H20N2O2.H2O4S/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;1-5(2,3)4/h9,12H,3-8H2,1-2H3;(H2,1,2,3,4)
InChIKeyKQIGCLAFLYPEHK-UHFFFAOYSA-N
XLogP-0.72
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxypiperazin-1-yl)-2-hydroxypropane-1-sulfonic acid;hydrate
CID 174976444
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
[4-(2-hydroxypropyl)piperazin-1-yl] acetate
CID 70499003
sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride
CID 174954120
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
(2S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-propylsulfonylpropan-1-one
CID 95326181
1-ethoxy-4-propan-2-ylpiperazine
CID 150580357
2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid?
The IUPAC name of 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid (CID 159209648) is 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid.
What is the SMILES notation for 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid?
The canonical SMILES for 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid is CCON1CCN(CC(C)O)CC1.O=S(=O)(O)O.
What is the InChIKey of 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid?
The InChIKey is KQIGCLAFLYPEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.H2O4S/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;1-5(2,3)4/h9,12H,3-8H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid?
1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid has a molecular weight of 286.35 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid is sourced from PubChem (CID 159209648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).