1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C16H25N3O — CID 107161856

IUPAC1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(CN2CCC(C)(/C(N)=N/O)CC2)cc1C
InChIInChI=1S/C16H25N3O/c1-12-4-5-14(10-13(12)2)11-19-8-6-16(3,7-9-19)15(17)18-20/h4-5,10,20H,6-9,11H2,1-3H3,(H2,17,18)
InChIKeyKLYSOEVMBOYWGS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.65
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161856) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107161856
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(CN2CCC(C)(/C(N)=N/O)CC2)cc1C
InChIInChI=1S/C16H25N3O/c1-12-4-5-14(10-13(12)2)11-19-8-6-16(3,7-9-19)15(17)18-20/h4-5,10,20H,6-9,11H2,1-3H3,(H2,17,18)
InChIKeyKLYSOEVMBOYWGS-UHFFFAOYSA-N
XLogP2.65
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161856) is 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1ccc(CN2CCC(C)(/C(N)=N/O)CC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is KLYSOEVMBOYWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-5-14(10-13(12)2)11-19-8-6-16(3,7-9-19)15(17)18-20/h4-5,10,20H,6-9,11H2,1-3H3,(H2,17,18).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).