N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide

C8H17N3O — CID 77016547

IUPACN'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
SMILESCC1(C)CCCN(C(N)=NO)C1
InChIInChI=1S/C8H17N3O/c1-8(2)4-3-5-11(6-8)7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWALBPIQORWQGBB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.81
Rot. Bonds

About N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide

N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide (PubChem CID 77016547) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
PubChem CID77016547
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
SMILESCC1(C)CCCN(C(N)=NO)C1
InChIInChI=1S/C8H17N3O/c1-8(2)4-3-5-11(6-8)7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWALBPIQORWQGBB-UHFFFAOYSA-N
XLogP0.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3,3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide (CID 77016547) is N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide is CC1(C)CCCN(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide?
The InChIKey is WALBPIQORWQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2)4-3-5-11(6-8)7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide?
N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 77016547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).