N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide

C8H17N3O2 — CID 63978659

IUPACN'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O2/c1-13-6-7-2-4-11(5-3-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyZQYAGQOAOZCZED-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds2

About N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide

N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide (PubChem CID 63978659) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide
PubChem CID63978659
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O2/c1-13-6-7-2-4-11(5-3-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyZQYAGQOAOZCZED-UHFFFAOYSA-N
XLogP0.05
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
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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Related Compounds

4-(Methoxymethyl)piperidine-1-carboximidamide
CID 20641649
N-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide
CID 57930284
CID 76650722
CID 76650722
1-[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]ethyl acetate
CID 174498057
2-Hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 63706606
4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
CID 63977674
4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 63977675
N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide
CID 63977864
4-(methoxymethyl)-N'-propylpiperidine-1-carboximidamide
CID 63978053
N'-tert-butyl-4-(methoxymethyl)piperidine-1-carboximidamide
CID 63978054
4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 63978055
N'-amino-4-(methoxymethyl)piperidine-1-carboximidamide
CID 64873444

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide (CID 63978659) is N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide is COCC1CCN(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide?
The InChIKey is ZQYAGQOAOZCZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-13-6-7-2-4-11(5-3-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide?
N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 63978659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).