1-(2-methoxyethyl)-4-methylidenepiperidine

C9H17NO — CID 21023790

IUPAC1-(2-methoxyethyl)-4-methylidenepiperidine
SMILESC=C1CCN(CCOC)CC1
InChIInChI=1S/C9H17NO/c1-9-3-5-10(6-4-9)7-8-11-2/h1,3-8H2,2H3
InChIKeyATXLODCPDDOROF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 1-(2-methoxyethyl)-4-methylidenepiperidine

1-(2-methoxyethyl)-4-methylidenepiperidine (PubChem CID 21023790) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylidenepiperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methylidenepiperidine
PubChem CID21023790
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methoxyethyl)-4-methylidenepiperidine
SMILESC=C1CCN(CCOC)CC1
InChIInChI=1S/C9H17NO/c1-9-3-5-10(6-4-9)7-8-11-2/h1,3-8H2,2H3
InChIKeyATXLODCPDDOROF-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 1-(2-methoxyethyl)-4-methylidenepiperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-methylidenepiperidine (CID 21023790) is 1-(2-methoxyethyl)-4-methylidenepiperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylidenepiperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylidenepiperidine is C=C1CCN(CCOC)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylidenepiperidine?
The InChIKey is ATXLODCPDDOROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9-3-5-10(6-4-9)7-8-11-2/h1,3-8H2,2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylidenepiperidine?
1-(2-methoxyethyl)-4-methylidenepiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylidenepiperidine is sourced from PubChem (CID 21023790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).