N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide

C13H27N3O2 — CID 107392865

IUPACN'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCOC1(C)CCCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)7-9-16-8-5-6-13(3,10-16)18-4/h17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyAMHIWRVBPBMCSC-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds5

About N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 107392865) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID107392865
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCOC1(C)CCCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)7-9-16-8-5-6-13(3,10-16)18-4/h17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyAMHIWRVBPBMCSC-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
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'}

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Related Compounds

4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107455407
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
N'-ethyl-3-methoxy-3-methylpiperidine-1-carboximidamide
CID 107393146

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (CID 107392865) is N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is COC1(C)CCCN(CCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is AMHIWRVBPBMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)7-9-16-8-5-6-13(3,10-16)18-4/h17H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 107392865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).