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

C12H25N3O2 — CID 43175039

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15-7-4-3-5-11(15)6-8-16/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyHTNZIWCVDKMAAB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds6

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

N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide (PubChem CID 43175039) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
PubChem CID43175039
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15-7-4-3-5-11(15)6-8-16/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyHTNZIWCVDKMAAB-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
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-(4-hydroxypiperidin-1-yl)pentanimidamide
CID 43367924

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide (CID 43175039) is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide is CCC(C/C(N)=N/O)N1CCCCC1CCO.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is HTNZIWCVDKMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15-7-4-3-5-11(15)6-8-16/h10-11,16-17H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 6 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]pentanimidamide is sourced from PubChem (CID 43175039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).