1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide

C11H23N3O3 — CID 163944689

IUPAC1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide
SMILESCC1CCCC(C)N1CC(=O)NC(C)[NH+]([O-])O
InChIInChI=1S/C11H23N3O3/c1-8-5-4-6-9(2)13(8)7-11(15)12-10(3)14(16)17/h8-10,14,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyRUBKPFZCVUBDSJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.52
Rot. Bonds4

About 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide

1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide (PubChem CID 163944689) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide.

Molecular Properties

Compound Name1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide
PubChem CID163944689
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide
SMILESCC1CCCC(C)N1CC(=O)NC(C)[NH+]([O-])O
InChIInChI=1S/C11H23N3O3/c1-8-5-4-6-9(2)13(8)7-11(15)12-10(3)14(16)17/h8-10,14,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyRUBKPFZCVUBDSJ-UHFFFAOYSA-N
XLogP-0.52
TPSA80.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide?
The IUPAC name of 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide (CID 163944689) is 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide.
What is the SMILES notation for 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide?
The canonical SMILES for 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide is CC1CCCC(C)N1CC(=O)NC(C)[NH+]([O-])O.
What is the InChIKey of 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide?
The InChIKey is RUBKPFZCVUBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8-5-4-6-9(2)13(8)7-11(15)12-10(3)14(16)17/h8-10,14,16H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide?
1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide has a molecular weight of 245.32 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide is sourced from PubChem (CID 163944689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).