N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide

C15H24N4O — CID 77032157

IUPACN'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
SMILESCN1CCCC(CNCc2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C15H24N4O/c1-19-8-2-3-13(11-19)10-17-9-12-4-6-14(7-5-12)15(16)18-20/h4-7,13,17,20H,2-3,8-11H2,1H3,(H2,16,18)
InChIKeyHQCIYWZYPASAMK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.21
Rot. Bonds5

About N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77032157) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
PubChem CID77032157
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
SMILESCN1CCCC(CNCc2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C15H24N4O/c1-19-8-2-3-13(11-19)10-17-9-12-4-6-14(7-5-12)15(16)18-20/h4-7,13,17,20H,2-3,8-11H2,1H3,(H2,16,18)
InChIKeyHQCIYWZYPASAMK-UHFFFAOYSA-N
XLogP1.21
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
2-[4-[[(1-methylpiperidin-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103244431
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 77001325
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
CID 77028502
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
N'-hydroxy-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77028438

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide (CID 77032157) is N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide is CN1CCCC(CNCc2ccc(C(N)=NO)cc2)C1.
What is the InChIKey of N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is HQCIYWZYPASAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-8-2-3-13(11-19)10-17-9-12-4-6-14(7-5-12)15(16)18-20/h4-7,13,17,20H,2-3,8-11H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77032157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).