N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide

C13H27N3O2 — CID 77063613

IUPACN'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILESCOC1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-17)7-4-8-16-9-5-11(18-3)6-10-16/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyKFAIGEQDSVWLKK-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds6

About N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide

N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 77063613) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
PubChem CID77063613
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILESCOC1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-17)7-4-8-16-9-5-11(18-3)6-10-16/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyKFAIGEQDSVWLKK-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide (CID 77063613) is N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide is COC1CCN(CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is KFAIGEQDSVWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)15-17)7-4-8-16-9-5-11(18-3)6-10-16/h11,17H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methoxypiperidin-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).