3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide

C13H19ClN4O — CID 102666772

IUPAC3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILESCN1CCN(Cc2ccc(/C(N)=N/O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN4O/c1-17-4-6-18(7-5-17)9-11-3-2-10(8-12(11)14)13(15)16-19/h2-3,8,19H,4-7,9H2,1H3,(H2,15,16)
InChIKeyZZGKMAOCFJWOBG-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.18
Rot. Bonds3

About 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide (PubChem CID 102666772) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
PubChem CID102666772
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILESCN1CCN(Cc2ccc(/C(N)=N/O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN4O/c1-17-4-6-18(7-5-17)9-11-3-2-10(8-12(11)14)13(15)16-19/h2-3,8,19H,4-7,9H2,1H3,(H2,15,16)
InChIKeyZZGKMAOCFJWOBG-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.18
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'}

Analyze 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)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-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
3-chloro-N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102667525
3-chloro-N'-hydroxy-4-[(4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 102666939
3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666774
3-chloro-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666931
3-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666835
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 28721933
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24705768
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
3-chloro-N'-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]benzenecarboximidamide
CID 102667040
3-chloro-N'-hydroxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 102666906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide (CID 102666772) is 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide is CN1CCN(Cc2ccc(/C(N)=N/O)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is ZZGKMAOCFJWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-17-4-6-18(7-5-17)9-11-3-2-10(8-12(11)14)13(15)16-19/h2-3,8,19H,4-7,9H2,1H3,(H2,15,16).
What are the key properties of 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 282.78 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 102666772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).