1-hydroxy-4-nitropiperidine

C5H10N2O3 — CID 42628660

IUPAC1-hydroxy-4-nitropiperidine
SMILESO=[N+]([O-])C1CCN(O)CC1
InChIInChI=1S/C5H10N2O3/c8-6-3-1-5(2-4-6)7(9)10/h5,8H,1-4H2
InChIKeyATLRUNAJDISBQC-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.12
Rot. Bonds1

About 1-hydroxy-4-nitropiperidine

1-hydroxy-4-nitropiperidine (PubChem CID 42628660) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-hydroxy-4-nitropiperidine.

Molecular Properties

Compound Name1-hydroxy-4-nitropiperidine
PubChem CID42628660
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name1-hydroxy-4-nitropiperidine
SMILESO=[N+]([O-])C1CCN(O)CC1
InChIInChI=1S/C5H10N2O3/c8-6-3-1-5(2-4-6)7(9)10/h5,8H,1-4H2
InChIKeyATLRUNAJDISBQC-UHFFFAOYSA-N
XLogP0.12
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.12
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-hydroxy-4-nitropiperidine?
The IUPAC name of 1-hydroxy-4-nitropiperidine (CID 42628660) is 1-hydroxy-4-nitropiperidine.
What is the SMILES notation for 1-hydroxy-4-nitropiperidine?
The canonical SMILES for 1-hydroxy-4-nitropiperidine is O=[N+]([O-])C1CCN(O)CC1.
What is the InChIKey of 1-hydroxy-4-nitropiperidine?
The InChIKey is ATLRUNAJDISBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c8-6-3-1-5(2-4-6)7(9)10/h5,8H,1-4H2.
What are the key properties of 1-hydroxy-4-nitropiperidine?
1-hydroxy-4-nitropiperidine has a molecular weight of 146.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-nitropiperidine is sourced from PubChem (CID 42628660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).