3-(4-hydroxypiperidin-1-yl)butanimidamide

C9H19N3O — CID 60914692

IUPAC3-(4-hydroxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-7(6-9(10)11)12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyOXBNJELKPXOTEL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)butanimidamide

3-(4-hydroxypiperidin-1-yl)butanimidamide (PubChem CID 60914692) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)butanimidamide
PubChem CID60914692
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(4-hydroxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-7(6-9(10)11)12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyOXBNJELKPXOTEL-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
1-Amino-3-(2-iminopiperidin-1-yl)butan-1-ol
CID 57189882
2-Imino-1-methylpiperidin-4-ol
CID 149848535
1-Ethanimidoyl-2,6-dimethylpiperidin-4-ol
CID 177033685
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
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24700500
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
CID 43367924
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)butanimidamide?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)butanimidamide (CID 60914692) is 3-(4-hydroxypiperidin-1-yl)butanimidamide.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)butanimidamide?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)butanimidamide?
The InChIKey is OXBNJELKPXOTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-9(10)11)12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)butanimidamide?
3-(4-hydroxypiperidin-1-yl)butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)butanimidamide is sourced from PubChem (CID 60914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).