piperidin-4-one;sulfuric acid

C5H11NO5S — CID 155024130

IUPACpiperidin-4-one;sulfuric acid
SMILESO=C1CCNCC1.O=S(=O)(O)O
InChIInChI=1S/C5H9NO.H2O4S/c7-5-1-3-6-4-2-5;1-5(2,3)4/h6H,1-4H2;(H2,1,2,3,4)
InChIKeyPXCOQYVINBATNJ-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.71
Rot. Bonds

About piperidin-4-one;sulfuric acid

piperidin-4-one;sulfuric acid (PubChem CID 155024130) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is piperidin-4-one;sulfuric acid.

Molecular Properties

Compound Namepiperidin-4-one;sulfuric acid
PubChem CID155024130
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Namepiperidin-4-one;sulfuric acid
SMILESO=C1CCNCC1.O=S(=O)(O)O
InChIInChI=1S/C5H9NO.H2O4S/c7-5-1-3-6-4-2-5;1-5(2,3)4/h6H,1-4H2;(H2,1,2,3,4)
InChIKeyPXCOQYVINBATNJ-UHFFFAOYSA-N
XLogP-0.71
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 piperidin-4-one;sulfuric acid?
The IUPAC name of piperidin-4-one;sulfuric acid (CID 155024130) is piperidin-4-one;sulfuric acid.
What is the SMILES notation for piperidin-4-one;sulfuric acid?
The canonical SMILES for piperidin-4-one;sulfuric acid is O=C1CCNCC1.O=S(=O)(O)O.
What is the InChIKey of piperidin-4-one;sulfuric acid?
The InChIKey is PXCOQYVINBATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H2O4S/c7-5-1-3-6-4-2-5;1-5(2,3)4/h6H,1-4H2;(H2,1,2,3,4).
What are the key properties of piperidin-4-one;sulfuric acid?
piperidin-4-one;sulfuric acid has a molecular weight of 197.21 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-one;sulfuric acid is sourced from PubChem (CID 155024130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).