3-ethoxy-5-methylidenepiperidine

C8H15NO — CID 91444845

IUPAC3-ethoxy-5-methylidenepiperidine
SMILESC=C1CNCC(OCC)C1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-7(2)5-9-6-8/h8-9H,2-6H2,1H3
InChIKeyKYVGZUHNQWHCTB-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 3-ethoxy-5-methylidenepiperidine

3-ethoxy-5-methylidenepiperidine (PubChem CID 91444845) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethoxy-5-methylidenepiperidine.

Molecular Properties

Compound Name3-ethoxy-5-methylidenepiperidine
PubChem CID91444845
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethoxy-5-methylidenepiperidine
SMILESC=C1CNCC(OCC)C1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-7(2)5-9-6-8/h8-9H,2-6H2,1H3
InChIKeyKYVGZUHNQWHCTB-UHFFFAOYSA-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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Related Compounds

2-Pent-1-en-3-ylmorpholine
CID 68589735
2-Pent-1-en-2-ylmorpholine
CID 68590326
2-But-1-en-2-ylmorpholine
CID 68590431
3-Methoxy-5-methylidenepiperidine
CID 90772001
2-(2-Methylprop-2-enyl)morpholine
CID 91553690
2-(2-Methylidenepent-4-enyl)morpholine
CID 118117904
3-Methoxy-2-methyl-5-methylidenepiperidine
CID 123429567
2,3-Dimethoxy-5-methylidenepiperidine
CID 123941739
3-Methoxy-4-methylidenepiperidine
CID 141842242
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methylidenepiperidine?
The IUPAC name of 3-ethoxy-5-methylidenepiperidine (CID 91444845) is 3-ethoxy-5-methylidenepiperidine.
What is the SMILES notation for 3-ethoxy-5-methylidenepiperidine?
The canonical SMILES for 3-ethoxy-5-methylidenepiperidine is C=C1CNCC(OCC)C1.
What is the InChIKey of 3-ethoxy-5-methylidenepiperidine?
The InChIKey is KYVGZUHNQWHCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-4-7(2)5-9-6-8/h8-9H,2-6H2,1H3.
What are the key properties of 3-ethoxy-5-methylidenepiperidine?
3-ethoxy-5-methylidenepiperidine 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 3-ethoxy-5-methylidenepiperidine is sourced from PubChem (CID 91444845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).