N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide

C11H23N3O2 — CID 76883639

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCCC1CCO
InChIInChI=1S/C11H23N3O2/c1-9(8-11(12)13-16)14-6-3-2-4-10(14)5-7-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyLJGFPNKABYLABT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds5

About N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide

N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide (PubChem CID 76883639) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
PubChem CID76883639
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCCC1CCO
InChIInChI=1S/C11H23N3O2/c1-9(8-11(12)13-16)14-6-3-2-4-10(14)5-7-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyLJGFPNKABYLABT-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
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

Tropane-8-propionamide, 3-hydroxy-, oxime, dihydrochloride
CID 9588273
N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 5746329
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369229
N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 3057121
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
CID 24695208
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24700500
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24701879
N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 24705535
2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanimidamide
CID 24705744
4-[2-(2-Hydroxyethyl)piperidin-1-yl]butanimidamide
CID 24709285
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 43156140
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43175039

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide (CID 76883639) is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide is CC(CC(N)=NO)N1CCCCC1CCO.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The InChIKey is LJGFPNKABYLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(8-11(12)13-16)14-6-3-2-4-10(14)5-7-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 76883639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).