2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide

C9H19N3O — CID 102958495

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCC(C)C(O)C1
InChIInChI=1S/C9H19N3O/c1-6-3-4-12(5-8(6)13)7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyQWEHCNPAUMZNJE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.01
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide

2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide (PubChem CID 102958495) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
PubChem CID102958495
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCC(C)C(O)C1
InChIInChI=1S/C9H19N3O/c1-6-3-4-12(5-8(6)13)7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyQWEHCNPAUMZNJE-UHFFFAOYSA-N
XLogP0.01
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide (CID 102958495) is 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide is [H]/N=C(\N)C(C)N1CCC(C)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The InChIKey is QWEHCNPAUMZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-3-4-12(5-8(6)13)7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 102958495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).