4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide

C11H23N3O — CID 63977674

IUPAC4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/C(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-4-10(5-7-14)8-15-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYASWHGZMBYLUBS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds3

About 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide

4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 63977674) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
PubChem CID63977674
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOCC1CCN(/C(N)=N/C(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-4-10(5-7-14)8-15-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYASWHGZMBYLUBS-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.07
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'-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide (CID 63977674) is 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide is COCC1CCN(/C(N)=N/C(C)C)CC1.
What is the InChIKey of 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is YASWHGZMBYLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-4-10(5-7-14)8-15-3/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 63977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).