N'-hydroxy-1-methylpiperidine-3-carboximidamide

C7H15N3O — CID 59556465

IUPACN'-hydroxy-1-methylpiperidine-3-carboximidamide
SMILESCN1CCCC(/C(N)=N/O)C1
InChIInChI=1S/C7H15N3O/c1-10-4-2-3-6(5-10)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyASTGCFFFALEDKG-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.07
Rot. Bonds1

About N'-hydroxy-1-methylpiperidine-3-carboximidamide

N'-hydroxy-1-methylpiperidine-3-carboximidamide (PubChem CID 59556465) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N'-hydroxy-1-methylpiperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methylpiperidine-3-carboximidamide
PubChem CID59556465
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN'-hydroxy-1-methylpiperidine-3-carboximidamide
SMILESCN1CCCC(/C(N)=N/O)C1
InChIInChI=1S/C7H15N3O/c1-10-4-2-3-6(5-10)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyASTGCFFFALEDKG-UHFFFAOYSA-N
XLogP0.07
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.07
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 N'-hydroxy-1-methylpiperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-methylpiperidine-3-carboximidamide (CID 59556465) is N'-hydroxy-1-methylpiperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methylpiperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methylpiperidine-3-carboximidamide is CN1CCCC(/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-1-methylpiperidine-3-carboximidamide?
The InChIKey is ASTGCFFFALEDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10-4-2-3-6(5-10)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-1-methylpiperidine-3-carboximidamide?
N'-hydroxy-1-methylpiperidine-3-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methylpiperidine-3-carboximidamide is sourced from PubChem (CID 59556465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).