piperidine;sulfuric acid;hydrochloride

C5H14ClNO4S — CID 172781903

IUPACpiperidine;sulfuric acid;hydrochloride
SMILESC1CCNCC1.Cl.O=S(=O)(O)O
InChIInChI=1S/C5H11N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H;(H2,1,2,3,4)
InChIKeyOJHVNKLWOGHTQR-UHFFFAOYSA-N
MW219.69 g/mol
LogP0.53
Rot. Bonds

About piperidine;sulfuric acid;hydrochloride

piperidine;sulfuric acid;hydrochloride (PubChem CID 172781903) has the molecular formula C5H14ClNO4S and a molecular weight of 219.69 g/mol. Its IUPAC name is piperidine;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namepiperidine;sulfuric acid;hydrochloride
PubChem CID172781903
Molecular FormulaC5H14ClNO4S
Molecular Weight219.69 g/mol
Exact Mass219.03
IUPAC Namepiperidine;sulfuric acid;hydrochloride
SMILESC1CCNCC1.Cl.O=S(=O)(O)O
InChIInChI=1S/C5H11N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H;(H2,1,2,3,4)
InChIKeyOJHVNKLWOGHTQR-UHFFFAOYSA-N
XLogP0.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 piperidine;sulfuric acid;hydrochloride?
The IUPAC name of piperidine;sulfuric acid;hydrochloride (CID 172781903) is piperidine;sulfuric acid;hydrochloride.
What is the SMILES notation for piperidine;sulfuric acid;hydrochloride?
The canonical SMILES for piperidine;sulfuric acid;hydrochloride is C1CCNCC1.Cl.O=S(=O)(O)O.
What is the InChIKey of piperidine;sulfuric acid;hydrochloride?
The InChIKey is OJHVNKLWOGHTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H;(H2,1,2,3,4).
What are the key properties of piperidine;sulfuric acid;hydrochloride?
piperidine;sulfuric acid;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;sulfuric acid;hydrochloride is sourced from PubChem (CID 172781903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).