(1-oxidopiperidin-1-ium-4-yl) nitrate

C5H10N2O4 — CID 23377775

IUPAC(1-oxidopiperidin-1-ium-4-yl) nitrate
SMILESO=[N+]([O-])OC1CC[NH+]([O-])CC1
InChIInChI=1S/C5H10N2O4/c8-6-3-1-5(2-4-6)11-7(9)10/h5-6H,1-4H2
InChIKeyJDMVQZFUCRNXLQ-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.26
Rot. Bonds2

About (1-oxidopiperidin-1-ium-4-yl) nitrate

(1-oxidopiperidin-1-ium-4-yl) nitrate (PubChem CID 23377775) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (1-oxidopiperidin-1-ium-4-yl) nitrate.

Molecular Properties

Compound Name(1-oxidopiperidin-1-ium-4-yl) nitrate
PubChem CID23377775
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(1-oxidopiperidin-1-ium-4-yl) nitrate
SMILESO=[N+]([O-])OC1CC[NH+]([O-])CC1
InChIInChI=1S/C5H10N2O4/c8-6-3-1-5(2-4-6)11-7(9)10/h5-6H,1-4H2
InChIKeyJDMVQZFUCRNXLQ-UHFFFAOYSA-N
XLogP-1.26
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-oxidopiperidin-1-ium-4-yl) nitrate?
The IUPAC name of (1-oxidopiperidin-1-ium-4-yl) nitrate (CID 23377775) is (1-oxidopiperidin-1-ium-4-yl) nitrate.
What is the SMILES notation for (1-oxidopiperidin-1-ium-4-yl) nitrate?
The canonical SMILES for (1-oxidopiperidin-1-ium-4-yl) nitrate is O=[N+]([O-])OC1CC[NH+]([O-])CC1.
What is the InChIKey of (1-oxidopiperidin-1-ium-4-yl) nitrate?
The InChIKey is JDMVQZFUCRNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c8-6-3-1-5(2-4-6)11-7(9)10/h5-6H,1-4H2.
What are the key properties of (1-oxidopiperidin-1-ium-4-yl) nitrate?
(1-oxidopiperidin-1-ium-4-yl) nitrate has a molecular weight of 162.14 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxidopiperidin-1-ium-4-yl) nitrate is sourced from PubChem (CID 23377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).