3-(methoxymethylidene)-4,5-dimethylpiperidine

C9H17NO — CID 91306513

IUPAC3-(methoxymethylidene)-4,5-dimethylpiperidine
SMILESCOC=C1CNCC(C)C1C
InChIInChI=1S/C9H17NO/c1-7-4-10-5-9(6-11-3)8(7)2/h6-8,10H,4-5H2,1-3H3
InChIKeyFEUXUTRBNMCDHK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.39
Rot. Bonds1

About 3-(methoxymethylidene)-4,5-dimethylpiperidine

3-(methoxymethylidene)-4,5-dimethylpiperidine (PubChem CID 91306513) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(methoxymethylidene)-4,5-dimethylpiperidine.

Molecular Properties

Compound Name3-(methoxymethylidene)-4,5-dimethylpiperidine
PubChem CID91306513
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(methoxymethylidene)-4,5-dimethylpiperidine
SMILESCOC=C1CNCC(C)C1C
InChIInChI=1S/C9H17NO/c1-7-4-10-5-9(6-11-3)8(7)2/h6-8,10H,4-5H2,1-3H3
InChIKeyFEUXUTRBNMCDHK-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)-4,5-dimethylpiperidine?
The IUPAC name of 3-(methoxymethylidene)-4,5-dimethylpiperidine (CID 91306513) is 3-(methoxymethylidene)-4,5-dimethylpiperidine.
What is the SMILES notation for 3-(methoxymethylidene)-4,5-dimethylpiperidine?
The canonical SMILES for 3-(methoxymethylidene)-4,5-dimethylpiperidine is COC=C1CNCC(C)C1C.
What is the InChIKey of 3-(methoxymethylidene)-4,5-dimethylpiperidine?
The InChIKey is FEUXUTRBNMCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-10-5-9(6-11-3)8(7)2/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 3-(methoxymethylidene)-4,5-dimethylpiperidine?
3-(methoxymethylidene)-4,5-dimethylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)-4,5-dimethylpiperidine is sourced from PubChem (CID 91306513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).