4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine

C11H19N3O — CID 123836426

IUPAC4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine
SMILESCC1=NC(CC2CCN(N)CC2)=CCO1
InChIInChI=1S/C11H19N3O/c1-9-13-11(4-7-15-9)8-10-2-5-14(12)6-3-10/h4,10H,2-3,5-8,12H2,1H3
InChIKeyMTVHHARARDZSSV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.29
Rot. Bonds2

About 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine

4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine (PubChem CID 123836426) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine
PubChem CID123836426
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine
SMILESCC1=NC(CC2CCN(N)CC2)=CCO1
InChIInChI=1S/C11H19N3O/c1-9-13-11(4-7-15-9)8-10-2-5-14(12)6-3-10/h4,10H,2-3,5-8,12H2,1H3
InChIKeyMTVHHARARDZSSV-UHFFFAOYSA-N
XLogP1.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine
CID 123507683

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine?
The IUPAC name of 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine (CID 123836426) is 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine.
What is the SMILES notation for 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine?
The canonical SMILES for 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine is CC1=NC(CC2CCN(N)CC2)=CCO1.
What is the InChIKey of 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine?
The InChIKey is MTVHHARARDZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-13-11(4-7-15-9)8-10-2-5-14(12)6-3-10/h4,10H,2-3,5-8,12H2,1H3.
What are the key properties of 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine?
4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 123836426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).