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

C15H24N4O — CID 24703247

IUPACN'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CCC(N(C)Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-7-14(8-10-18)19(2)11-12-3-5-13(6-4-12)15(16)17-20/h3-6,14,20H,7-11H2,1-2H3,(H2,16,17)
InChIKeyHKGHSVPCIXOODW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.31
Rot. Bonds4

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

N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide (PubChem CID 24703247) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
PubChem CID24703247
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CCC(N(C)Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-7-14(8-10-18)19(2)11-12-3-5-13(6-4-12)15(16)17-20/h3-6,14,20H,7-11H2,1-2H3,(H2,16,17)
InChIKeyHKGHSVPCIXOODW-UHFFFAOYSA-N
XLogP1.31
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.31
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-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide (CID 24703247) is N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide is CN1CCC(N(C)Cc2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is HKGHSVPCIXOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-9-7-14(8-10-18)19(2)11-12-3-5-13(6-4-12)15(16)17-20/h3-6,14,20H,7-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 24703247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).