4-(2-ethoxyethylidene)piperidine

C9H17NO — CID 115012071

IUPAC4-(2-ethoxyethylidene)piperidine
SMILESCCOCC=C1CCNCC1
InChIInChI=1S/C9H17NO/c1-2-11-8-5-9-3-6-10-7-4-9/h5,10H,2-4,6-8H2,1H3
InChIKeyYMILXSAWSOZPKV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-ethoxyethylidene)piperidine

4-(2-ethoxyethylidene)piperidine (PubChem CID 115012071) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(2-ethoxyethylidene)piperidine.

Molecular Properties

Compound Name4-(2-ethoxyethylidene)piperidine
PubChem CID115012071
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(2-ethoxyethylidene)piperidine
SMILESCCOCC=C1CCNCC1
InChIInChI=1S/C9H17NO/c1-2-11-8-5-9-3-6-10-7-4-9/h5,10H,2-4,6-8H2,1H3
InChIKeyYMILXSAWSOZPKV-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylidene)piperidine?
The IUPAC name of 4-(2-ethoxyethylidene)piperidine (CID 115012071) is 4-(2-ethoxyethylidene)piperidine.
What is the SMILES notation for 4-(2-ethoxyethylidene)piperidine?
The canonical SMILES for 4-(2-ethoxyethylidene)piperidine is CCOCC=C1CCNCC1.
What is the InChIKey of 4-(2-ethoxyethylidene)piperidine?
The InChIKey is YMILXSAWSOZPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-8-5-9-3-6-10-7-4-9/h5,10H,2-4,6-8H2,1H3.
What are the key properties of 4-(2-ethoxyethylidene)piperidine?
4-(2-ethoxyethylidene)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylidene)piperidine is sourced from PubChem (CID 115012071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).