N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide

C10H21N3O2 — CID 43372968

IUPACN'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide
SMILESCOC1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O2/c1-15-9-4-7-13(8-5-9)6-2-3-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyLKGKQKKJROGKDL-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds5

About N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide

N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide (PubChem CID 43372968) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide
PubChem CID43372968
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide
SMILESCOC1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O2/c1-15-9-4-7-13(8-5-9)6-2-3-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyLKGKQKKJROGKDL-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.62
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-4-(4-methoxypiperidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide (CID 43372968) is N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide is COC1CCN(CCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide?
The InChIKey is LKGKQKKJROGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-15-9-4-7-13(8-5-9)6-2-3-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide?
N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 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)butanimidamide is sourced from PubChem (CID 43372968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).