N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide

C11H18N6O3 — CID 6323887

IUPACN'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide
SMILESCOc1nc(OC/C(N)=N/O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H18N6O3/c1-19-10-13-9(17-5-3-2-4-6-17)14-11(15-10)20-7-8(12)16-18/h18H,2-7H2,1H3,(H2,12,16)
InChIKeyDIXCNHFDUAJDEG-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.00
Rot. Bonds5

About N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide

N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide (PubChem CID 6323887) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide
PubChem CID6323887
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC NameN'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide
SMILESCOc1nc(OC/C(N)=N/O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H18N6O3/c1-19-10-13-9(17-5-3-2-4-6-17)14-11(15-10)20-7-8(12)16-18/h18H,2-7H2,1H3,(H2,12,16)
InChIKeyDIXCNHFDUAJDEG-UHFFFAOYSA-N
XLogP-0.00
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide (CID 6323887) is N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide is COc1nc(OC/C(N)=N/O)nc(N2CCCCC2)n1.
What is the InChIKey of N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide?
The InChIKey is DIXCNHFDUAJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-19-10-13-9(17-5-3-2-4-6-17)14-11(15-10)20-7-8(12)16-18/h18H,2-7H2,1H3,(H2,12,16).
What are the key properties of N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide?
N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide has a molecular weight of 282.30 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide is sourced from PubChem (CID 6323887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).