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

C10H21N3O2 — CID 24701879

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
SMILESN/C(CCN1CCCCC1CCO)=N\O
InChIInChI=1S/C10H21N3O2/c11-10(12-15)4-7-13-6-2-1-3-9(13)5-8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyJWRYBTNGXHDKCZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds5

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

N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide (PubChem CID 24701879) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
PubChem CID24701879
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
SMILESN/C(CCN1CCCCC1CCO)=N\O
InChIInChI=1S/C10H21N3O2/c11-10(12-15)4-7-13-6-2-1-3-9(13)5-8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyJWRYBTNGXHDKCZ-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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-(2-hydroxyethyl)piperidin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide (CID 24701879) is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide is N/C(CCN1CCCCC1CCO)=N\O.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide?
The InChIKey is JWRYBTNGXHDKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(12-15)4-7-13-6-2-1-3-9(13)5-8-14/h9,14-15H,1-8H2,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 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]propanimidamide is sourced from PubChem (CID 24701879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).