4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide

C₂₂H₃₄N₄O — CID 109414417

About 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide

4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide (PubChem CID 109414417) has the molecular formula C₂₂H₃₄N₄O and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

• Compound Name: 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
• PubChem CID: 109414417
• Molecular Formula: C₂₂H₃₄N₄O
• Molecular Weight: 370.54 g/mol
• Exact Mass: 370.27
• IUPAC Name: 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
• SMILES: C/N=C(\NCC(C)N1CCOCC1C)N1CCC(=Cc2ccccc2)CC1
• InChI: InChI=1S/C22H34N4O/c1-18(26-13-14-27-17-19(26)2)16-24-22(23-3)25-11-9-21(10-12-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24)
• InChIKey: MLSJXKKNXVIDQI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 40.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.54
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?

The IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide (CID 109414417) is 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide.

What is the SMILES notation for 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?

The canonical SMILES for 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide is C/N=C(\NCC(C)N1CCOCC1C)N1CCC(=Cc2ccccc2)CC1.

What is the InChIKey of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?

The InChIKey is MLSJXKKNXVIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-18(26-13-14-27-17-19(26)2)16-24-22(23-3)25-11-9-21(10-12-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24).

What are the key properties of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?

4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 370.54 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109414417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109414417 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.