[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine

C10H15N3O — CID 129199484

IUPAC[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine
SMILES[H]/N=C/C1CCN(Cc2ccon2)CC1
InChIInChI=1S/C10H15N3O/c11-7-9-1-4-13(5-2-9)8-10-3-6-14-12-10/h3,6-7,9,11H,1-2,4-5,8H2/b11-7+
InChIKeyYEDOKADXOLJJEY-YRNVUSSQSA-N
MW193.25 g/mol
LogP1.54
Rot. Bonds3

About [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine

[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine (PubChem CID 129199484) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine.

Molecular Properties

Compound Name[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine
PubChem CID129199484
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine
SMILES[H]/N=C/C1CCN(Cc2ccon2)CC1
InChIInChI=1S/C10H15N3O/c11-7-9-1-4-13(5-2-9)8-10-3-6-14-12-10/h3,6-7,9,11H,1-2,4-5,8H2/b11-7+
InChIKeyYEDOKADXOLJJEY-YRNVUSSQSA-N
XLogP1.54
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine?
The IUPAC name of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine (CID 129199484) is [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine.
What is the SMILES notation for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine?
The canonical SMILES for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine is [H]/N=C/C1CCN(Cc2ccon2)CC1.
What is the InChIKey of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine?
The InChIKey is YEDOKADXOLJJEY-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N3O/c11-7-9-1-4-13(5-2-9)8-10-3-6-14-12-10/h3,6-7,9,11H,1-2,4-5,8H2/b11-7+.
What are the key properties of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine?
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine has a molecular weight of 193.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine is sourced from PubChem (CID 129199484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).