1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine

C11H17N3O — CID 21388036

IUPAC1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=c1/c(C2CCNCC2)ccc(C)n1O
InChIInChI=1S/C11H17N3O/c1-8-2-3-10(11(12)14(8)15)9-4-6-13-7-5-9/h2-3,9,12-13,15H,4-7H2,1H3/b12-11-
InChIKeyZBNFBIUINYFDDU-QXMHVHEDSA-N
MW207.28 g/mol
LogP0.98
Rot. Bonds1

About 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine

1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine (PubChem CID 21388036) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine.

Molecular Properties

Compound Name1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine
PubChem CID21388036
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=c1/c(C2CCNCC2)ccc(C)n1O
InChIInChI=1S/C11H17N3O/c1-8-2-3-10(11(12)14(8)15)9-4-6-13-7-5-9/h2-3,9,12-13,15H,4-7H2,1H3/b12-11-
InChIKeyZBNFBIUINYFDDU-QXMHVHEDSA-N
XLogP0.98
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine?
The IUPAC name of 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine (CID 21388036) is 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine.
What is the SMILES notation for 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine?
The canonical SMILES for 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine is [H]/N=c1/c(C2CCNCC2)ccc(C)n1O.
What is the InChIKey of 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine?
The InChIKey is ZBNFBIUINYFDDU-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-3-10(11(12)14(8)15)9-4-6-13-7-5-9/h2-3,9,12-13,15H,4-7H2,1H3/b12-11-.
What are the key properties of 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine?
1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine has a molecular weight of 207.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine is sourced from PubChem (CID 21388036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).