2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide

C12H23N3O2 — CID 55156330

IUPAC2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCC(C)(C)CC1)/C(N)=N/O
InChIInChI=1S/C12H23N3O2/c1-4-9(10(13)14-17)11(16)15-7-5-12(2,3)6-8-15/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDOYRZFKOUFTICO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds3

About 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide

2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 55156330) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID55156330
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCC(C)(C)CC1)/C(N)=N/O
InChIInChI=1S/C12H23N3O2/c1-4-9(10(13)14-17)11(16)15-7-5-12(2,3)6-8-15/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDOYRZFKOUFTICO-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide (CID 55156330) is 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCC(C)(C)CC1)/C(N)=N/O.
What is the InChIKey of 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is DOYRZFKOUFTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-9(10(13)14-17)11(16)15-7-5-12(2,3)6-8-15/h9,17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55156330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).