N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide

C12H25N3O2 — CID 77062892

IUPACN'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCOC1CCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)14-16)6-9-15-7-4-10(17-3)5-8-15/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyXRMYFYCEIBDVME-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds5

About N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 77062892) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID77062892
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCOC1CCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)14-16)6-9-15-7-4-10(17-3)5-8-15/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyXRMYFYCEIBDVME-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
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 N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide 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

N'-hydroxy-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 107161813
N'-hydroxy-3-(4-methoxypiperidin-1-yl)-2-methylpropanimidamide
CID 43372965
N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide
CID 43372968
N'-hydroxy-3-(4-methoxypiperidin-1-yl)propanimidamide
CID 43372969
5-(4-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide
CID 54966286
4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 61218429
3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide
CID 61220722
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
N'-hydroxy-5-(4-methoxypiperidin-1-yl)pentanimidamide
CID 61524740
4-(4-Hydroxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65250556
4-(4-Methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65250865
4-(4-Ethoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65252329

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide (CID 77062892) is N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide is COC1CCN(CCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is XRMYFYCEIBDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,11(13)14-16)6-9-15-7-4-10(17-3)5-8-15/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxypiperidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).