N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide

C11H23N3O2 — CID 61406642

IUPACN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCCC1CO
InChIInChI=1S/C11H23N3O2/c1-2-9(7-11(12)13-16)14-6-4-3-5-10(14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyUDQZXOXVWRKREC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds5

About N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide (PubChem CID 61406642) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
PubChem CID61406642
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCCC1CO
InChIInChI=1S/C11H23N3O2/c1-2-9(7-11(12)13-16)14-6-4-3-5-10(14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyUDQZXOXVWRKREC-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide (CID 61406642) is N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide is CCC(CC(N)=NO)N1CCCCC1CO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is UDQZXOXVWRKREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-9(7-11(12)13-16)14-6-4-3-5-10(14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide 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-(hydroxymethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 61406642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).