2-piperazin-1-ylethyl hydrogen sulfate

C6H14N2O4S — CID 11790479

IUPAC2-piperazin-1-ylethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCN1CCNCC1
InChIInChI=1S/C6H14N2O4S/c9-13(10,11)12-6-5-8-3-1-7-2-4-8/h7H,1-6H2,(H,9,10,11)
InChIKeyABWRMNFLAPMVIY-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.29
Rot. Bonds4

About 2-piperazin-1-ylethyl hydrogen sulfate

2-piperazin-1-ylethyl hydrogen sulfate (PubChem CID 11790479) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-piperazin-1-ylethyl hydrogen sulfate.

Molecular Properties

Compound Name2-piperazin-1-ylethyl hydrogen sulfate
PubChem CID11790479
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name2-piperazin-1-ylethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCN1CCNCC1
InChIInChI=1S/C6H14N2O4S/c9-13(10,11)12-6-5-8-3-1-7-2-4-8/h7H,1-6H2,(H,9,10,11)
InChIKeyABWRMNFLAPMVIY-UHFFFAOYSA-N
XLogP-1.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethyl hydrogen sulfate?
The IUPAC name of 2-piperazin-1-ylethyl hydrogen sulfate (CID 11790479) is 2-piperazin-1-ylethyl hydrogen sulfate.
What is the SMILES notation for 2-piperazin-1-ylethyl hydrogen sulfate?
The canonical SMILES for 2-piperazin-1-ylethyl hydrogen sulfate is O=S(=O)(O)OCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethyl hydrogen sulfate?
The InChIKey is ABWRMNFLAPMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c9-13(10,11)12-6-5-8-3-1-7-2-4-8/h7H,1-6H2,(H,9,10,11).
What are the key properties of 2-piperazin-1-ylethyl hydrogen sulfate?
2-piperazin-1-ylethyl hydrogen sulfate has a molecular weight of 210.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethyl hydrogen sulfate is sourced from PubChem (CID 11790479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).