N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide

C9H19N3O — CID 43367934

IUPACN'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide
SMILESCC(CN1CCCCC1)/C(N)=N/O
InChIInChI=1S/C9H19N3O/c1-8(9(10)11-13)7-12-5-3-2-4-6-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyLKLZEOAMPHVZOD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.85
Rot. Bonds3

About N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide

N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide (PubChem CID 43367934) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide
PubChem CID43367934
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide
SMILESCC(CN1CCCCC1)/C(N)=N/O
InChIInChI=1S/C9H19N3O/c1-8(9(10)11-13)7-12-5-3-2-4-6-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyLKLZEOAMPHVZOD-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.85
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

N'-hydroxy-3-(piperidin-1-yl)propanimidamide
CID 658234
N'-hydroxy-4-(piperidin-1-yl)butanimidamide
CID 7358501
N-Hydroxy-1-piperidinepropanimidamide
CID 7358324
(1E)-N'-hydroxy-3-(piperidin-1-yl)propanimidamide
CID 5882606
N-hydroxy-1-methylpiperidine-4-carboximidamide
CID 57751896
N'-hydroxy-1-methylpiperidine-3-carboximidamide
CID 59556465
1-(Hydroxyimino)-4-piperidylbutylamine
CID 5910104
CID 658210
CID 658210
N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide
CID 24697862
4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
CID 155397803
Piperidinopropioamidoxime
CID 76175176
e-Piperidinopropioamidoxime
CID 129771937

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide (CID 43367934) is N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide is CC(CN1CCCCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide?
The InChIKey is LKLZEOAMPHVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(9(10)11-13)7-12-5-3-2-4-6-12/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide?
N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-piperidin-1-ylpropanimidamide is sourced from PubChem (CID 43367934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).