O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid

C6H16N2O5S — CID 67823314

IUPACO-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid
SMILESC[C@@H]1C[C@H](ON)CCN1.O=S(=O)(O)O
InChIInChI=1S/C6H14N2O.H2O4S/c1-5-4-6(9-7)2-3-8-5;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)/t5-,6-;/m1./s1
InChIKeyJBZOZKCLHGYLRK-KGZKBUQUSA-N
MW228.27 g/mol
LogP-0.64
Rot. Bonds1

About O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid

O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid (PubChem CID 67823314) has the molecular formula C6H16N2O5S and a molecular weight of 228.27 g/mol. Its IUPAC name is O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid.

Molecular Properties

Compound NameO-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid
PubChem CID67823314
Molecular FormulaC6H16N2O5S
Molecular Weight228.27 g/mol
Exact Mass228.08
IUPAC NameO-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid
SMILESC[C@@H]1C[C@H](ON)CCN1.O=S(=O)(O)O
InChIInChI=1S/C6H14N2O.H2O4S/c1-5-4-6(9-7)2-3-8-5;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)/t5-,6-;/m1./s1
InChIKeyJBZOZKCLHGYLRK-KGZKBUQUSA-N
XLogP-0.64
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid?
The IUPAC name of O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid (CID 67823314) is O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid.
What is the SMILES notation for O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid?
The canonical SMILES for O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid is C[C@@H]1C[C@H](ON)CCN1.O=S(=O)(O)O.
What is the InChIKey of O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid?
The InChIKey is JBZOZKCLHGYLRK-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H14N2O.H2O4S/c1-5-4-6(9-7)2-3-8-5;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)/t5-,6-;/m1./s1.
What are the key properties of O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid?
O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid has a molecular weight of 228.27 g/mol, XLogP of -0.64, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid is sourced from PubChem (CID 67823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).