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

C10H21N3O — CID 60913510

IUPAC3-(4-methoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)12)13-5-3-9(14-2)4-6-13/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyHKEJTLIYZUKEAC-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds4

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

3-(4-methoxypiperidin-1-yl)butanimidamide (PubChem CID 60913510) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)butanimidamide
PubChem CID60913510
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(4-methoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)12)13-5-3-9(14-2)4-6-13/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyHKEJTLIYZUKEAC-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methoxypiperidin-1-yl)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113808118
3,3,3-Trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propanimidamide
CID 114221145
1-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
4-(4-Ethoxy-2-iminopiperidin-1-yl)butan-1-amine
CID 174831682
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
3-Morpholin-4-ylpentanimidamide
CID 43367795
3-(2,6-Dimethylmorpholin-4-yl)pentanimidamide
CID 43367821
3-(2-Methylmorpholin-4-yl)pentanimidamide
CID 43367839

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)butanimidamide?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)butanimidamide (CID 60913510) is 3-(4-methoxypiperidin-1-yl)butanimidamide.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)butanimidamide?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCC(OC)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)butanimidamide?
The InChIKey is HKEJTLIYZUKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(7-10(11)12)13-5-3-9(14-2)4-6-13/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-(4-methoxypiperidin-1-yl)butanimidamide?
3-(4-methoxypiperidin-1-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)butanimidamide is sourced from PubChem (CID 60913510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).