(3E)-3-(2-methoxyethylidene)piperidine

C8H15NO — CID 115011442

IUPAC(3E)-3-(2-methoxyethylidene)piperidine
SMILESCOC/C=C1\CCCNC1
InChIInChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3/b8-4+
InChIKeyMFSHXUFRVJJLLA-XBXARRHUSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About (3E)-3-(2-methoxyethylidene)piperidine

(3E)-3-(2-methoxyethylidene)piperidine (PubChem CID 115011442) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-3-(2-methoxyethylidene)piperidine.

Molecular Properties

Compound Name(3E)-3-(2-methoxyethylidene)piperidine
PubChem CID115011442
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-3-(2-methoxyethylidene)piperidine
SMILESCOC/C=C1\CCCNC1
InChIInChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3/b8-4+
InChIKeyMFSHXUFRVJJLLA-XBXARRHUSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-methoxyethylidene)piperidine?
The IUPAC name of (3E)-3-(2-methoxyethylidene)piperidine (CID 115011442) is (3E)-3-(2-methoxyethylidene)piperidine.
What is the SMILES notation for (3E)-3-(2-methoxyethylidene)piperidine?
The canonical SMILES for (3E)-3-(2-methoxyethylidene)piperidine is COC/C=C1\CCCNC1.
What is the InChIKey of (3E)-3-(2-methoxyethylidene)piperidine?
The InChIKey is MFSHXUFRVJJLLA-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3/b8-4+.
What are the key properties of (3E)-3-(2-methoxyethylidene)piperidine?
(3E)-3-(2-methoxyethylidene)piperidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-methoxyethylidene)piperidine is sourced from PubChem (CID 115011442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).