4-(methoxymethyl)piperidine-1-carboximidamide

C8H17N3O — CID 20641649

IUPAC4-(methoxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C8H17N3O/c1-12-6-7-2-4-11(5-3-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyDMUZPSGTYFDKEN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.24
Rot. Bonds2

About 4-(methoxymethyl)piperidine-1-carboximidamide

4-(methoxymethyl)piperidine-1-carboximidamide (PubChem CID 20641649) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(methoxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)piperidine-1-carboximidamide
PubChem CID20641649
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(methoxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C8H17N3O/c1-12-6-7-2-4-11(5-3-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyDMUZPSGTYFDKEN-UHFFFAOYSA-N
XLogP0.24
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)piperidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(methoxymethyl)piperidine-1-carboximidamide (CID 20641649) is 4-(methoxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(COC)CC1.
What is the InChIKey of 4-(methoxymethyl)piperidine-1-carboximidamide?
The InChIKey is DMUZPSGTYFDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-12-6-7-2-4-11(5-3-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 4-(methoxymethyl)piperidine-1-carboximidamide?
4-(methoxymethyl)piperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 20641649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).