1-ethyl-3-(methoxymethylidene)piperidine

C9H17NO — CID 56636098

IUPAC1-ethyl-3-(methoxymethylidene)piperidine
SMILESCCN1CCCC(=COC)C1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-5-9(7-10)8-11-2/h8H,3-7H2,1-2H3
InChIKeyWEKMGQQIEJLHLC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds2

About 1-ethyl-3-(methoxymethylidene)piperidine

1-ethyl-3-(methoxymethylidene)piperidine (PubChem CID 56636098) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-3-(methoxymethylidene)piperidine.

Molecular Properties

Compound Name1-ethyl-3-(methoxymethylidene)piperidine
PubChem CID56636098
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-ethyl-3-(methoxymethylidene)piperidine
SMILESCCN1CCCC(=COC)C1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-5-9(7-10)8-11-2/h8H,3-7H2,1-2H3
InChIKeyWEKMGQQIEJLHLC-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
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 1-ethyl-3-(methoxymethylidene)piperidine?
The IUPAC name of 1-ethyl-3-(methoxymethylidene)piperidine (CID 56636098) is 1-ethyl-3-(methoxymethylidene)piperidine.
What is the SMILES notation for 1-ethyl-3-(methoxymethylidene)piperidine?
The canonical SMILES for 1-ethyl-3-(methoxymethylidene)piperidine is CCN1CCCC(=COC)C1.
What is the InChIKey of 1-ethyl-3-(methoxymethylidene)piperidine?
The InChIKey is WEKMGQQIEJLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-6-4-5-9(7-10)8-11-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-(methoxymethylidene)piperidine?
1-ethyl-3-(methoxymethylidene)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methoxymethylidene)piperidine is sourced from PubChem (CID 56636098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).