4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide

C12H25N3O — CID 63978055

IUPAC4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)8-14-12(13)15-6-4-11(5-7-15)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyHIISNGXPNCCCJC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.32
Rot. Bonds4

About 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide

4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 63978055) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID63978055
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)8-14-12(13)15-6-4-11(5-7-15)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyHIISNGXPNCCCJC-UHFFFAOYSA-N
XLogP1.32
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 63978055) is 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide is COCC1CCN(/C(N)=N/CC(C)C)CC1.
What is the InChIKey of 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is HIISNGXPNCCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)8-14-12(13)15-6-4-11(5-7-15)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide?
4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 63978055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).