2-ethoxy-3-methylidenepiperidine

C8H15NO — CID 91046560

IUPAC2-ethoxy-3-methylidenepiperidine
SMILESC=C1CCCNC1OCC
InChIInChI=1S/C8H15NO/c1-3-10-8-7(2)5-4-6-9-8/h8-9H,2-6H2,1H3
InChIKeyQTSNQURQQHCQLV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds2

About 2-ethoxy-3-methylidenepiperidine

2-ethoxy-3-methylidenepiperidine (PubChem CID 91046560) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name2-ethoxy-3-methylidenepiperidine
PubChem CID91046560
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethoxy-3-methylidenepiperidine
SMILESC=C1CCCNC1OCC
InChIInChI=1S/C8H15NO/c1-3-10-8-7(2)5-4-6-9-8/h8-9H,2-6H2,1H3
InChIKeyQTSNQURQQHCQLV-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methoxy-5-methylidenepiperidine
CID 90934404
5-Fluoro-2-methoxy-3-methylidenepiperidine
CID 123297418
(2-Ethoxypiperidin-3-ylidene)methanone
CID 87544080
2,6-Dimethoxy-3-methylidenepiperidine
CID 90996312
2-Methoxy-3-methylidenepiperidine
CID 91124723
2-Methoxy-3-methyl-5-methylidenepiperidine
CID 91145347
3-Methylidene-2-propoxypiperidine
CID 91408185
2-Methoxy-5-methylidenepiperidine
CID 91437785

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylidenepiperidine?
The IUPAC name of 2-ethoxy-3-methylidenepiperidine (CID 91046560) is 2-ethoxy-3-methylidenepiperidine.
What is the SMILES notation for 2-ethoxy-3-methylidenepiperidine?
The canonical SMILES for 2-ethoxy-3-methylidenepiperidine is C=C1CCCNC1OCC.
What is the InChIKey of 2-ethoxy-3-methylidenepiperidine?
The InChIKey is QTSNQURQQHCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-7(2)5-4-6-9-8/h8-9H,2-6H2,1H3.
What are the key properties of 2-ethoxy-3-methylidenepiperidine?
2-ethoxy-3-methylidenepiperidine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylidenepiperidine is sourced from PubChem (CID 91046560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).