2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol

C12H17N3O2 — CID 169034688

IUPAC2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol
SMILESO/N=C/c1nc(CN2CCCCC2)ccc1O
InChIInChI=1S/C12H17N3O2/c16-12-5-4-10(14-11(12)8-13-17)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2/b13-8+
InChIKeyZISKLIDLNMAZDG-MDWZMJQESA-N
MW235.29 g/mol
LogP1.58
Rot. Bonds3

About 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol

2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol (PubChem CID 169034688) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol
PubChem CID169034688
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol
SMILESO/N=C/c1nc(CN2CCCCC2)ccc1O
InChIInChI=1S/C12H17N3O2/c16-12-5-4-10(14-11(12)8-13-17)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2/b13-8+
InChIKeyZISKLIDLNMAZDG-MDWZMJQESA-N
XLogP1.58
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol (CID 169034688) is 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol is O/N=C/c1nc(CN2CCCCC2)ccc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol?
The InChIKey is ZISKLIDLNMAZDG-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-5-4-10(14-11(12)8-13-17)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2/b13-8+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol?
2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol has a molecular weight of 235.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-6-(piperidin-1-ylmethyl)pyridin-3-ol is sourced from PubChem (CID 169034688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).