2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

C15H23N3O — CID 107109406

IUPAC2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N1CC(C)CCC1C
InChIInChI=1S/C15H23N3O/c1-10-7-8-12(3)18(9-10)14-11(2)5-4-6-13(14)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyZALBSWOCSWARFB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109406) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109406
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N1CC(C)CCC1C
InChIInChI=1S/C15H23N3O/c1-10-7-8-12(3)18(9-10)14-11(2)5-4-6-13(14)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyZALBSWOCSWARFB-UHFFFAOYSA-N
XLogP2.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.71
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-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
CID 107109442
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77077430
2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79520284
N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107109376
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109567
N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
CID 107110933
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573
2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930021
2-(2,4-dimethylpiperazin-1-yl)-3-methylbenzenecarbothioamide
CID 114086677
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109563

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109406) is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1N1CC(C)CCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is ZALBSWOCSWARFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-7-8-12(3)18(9-10)14-11(2)5-4-6-13(14)15(16)17-19/h4-6,10,12,19H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).