N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide

C10H22N4O — CID 24694552

IUPACN'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
SMILESCN1CCC(N(C)CC/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O/c1-13-6-3-9(4-7-13)14(2)8-5-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyGWXWQCYHJGOOGG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds4

About N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide

N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide (PubChem CID 24694552) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
PubChem CID24694552
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
SMILESCN1CCC(N(C)CC/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O/c1-13-6-3-9(4-7-13)14(2)8-5-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyGWXWQCYHJGOOGG-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide (CID 24694552) is N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide is CN1CCC(N(C)CC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The InChIKey is GWXWQCYHJGOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-13-6-3-9(4-7-13)14(2)8-5-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 24694552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).