N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide

C9H19N3O2 — CID 43372969

IUPACN'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide
SMILESCOC1CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-3-8)7-4-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyGJHPBSKHIYJHSC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds4

About N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide

N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide (PubChem CID 43372969) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide
PubChem CID43372969
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide
SMILESCOC1CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-3-8)7-4-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyGJHPBSKHIYJHSC-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113807941
(5E)-7-oxa-1,6-diazabicyclo[6.2.2]dodec-5-en-5-amine
CID 130383392
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
CID 24691298
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
N'-hydroxy-3-(2-methylmorpholin-4-yl)propanimidamide
CID 24702388
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
N'-hydroxy-4-(2-methylmorpholin-4-yl)butanimidamide
CID 24711621
N'-hydroxy-3-(2-methylmorpholin-4-yl)pentanimidamide
CID 43174984
N'-hydroxy-2-(4-methoxypiperidin-1-yl)ethanimidamide
CID 43216564
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43367750

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide (CID 43372969) is N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide is COC1CCN(CC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide?
The InChIKey is GJHPBSKHIYJHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-3-8)7-4-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide?
N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide is sourced from PubChem (CID 43372969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).