N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide

C10H21N3O2 — CID 43367924

IUPACN'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(O)CC1
InChIInChI=1S/C10H21N3O2/c1-2-8(7-10(11)12-15)13-5-3-9(14)4-6-13/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyPHQVLXRKKMIRFY-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

About N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide

N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide (PubChem CID 43367924) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
PubChem CID43367924
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(O)CC1
InChIInChI=1S/C10H21N3O2/c1-2-8(7-10(11)12-15)13-5-3-9(14)4-6-13/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyPHQVLXRKKMIRFY-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
4-(4-Hydroxypiperidin-1-yl)butanimidamide
CID 24699078
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24701879
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-3-(2-methylmorpholin-4-yl)pentanimidamide
CID 43174984
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43175039
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43367750
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928
3-(4-Hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43368002

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide (CID 43367924) is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide is CCC(C/C(N)=N/O)N1CCC(O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide?
The InChIKey is PHQVLXRKKMIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-8(7-10(11)12-15)13-5-3-9(14)4-6-13/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide?
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 43367924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).