2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde

C15H19NO — CID 89415184

IUPAC2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde
SMILESCCN1CCC(=Cc2ccccc2C=O)CC1
InChIInChI=1S/C15H19NO/c1-2-16-9-7-13(8-10-16)11-14-5-3-4-6-15(14)12-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyZIOBOXZUAQXUPZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.00
Rot. Bonds3

About 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde

2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde (PubChem CID 89415184) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde
PubChem CID89415184
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde
SMILESCCN1CCC(=Cc2ccccc2C=O)CC1
InChIInChI=1S/C15H19NO/c1-2-16-9-7-13(8-10-16)11-14-5-3-4-6-15(14)12-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyZIOBOXZUAQXUPZ-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde?
The IUPAC name of 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde (CID 89415184) is 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde?
The canonical SMILES for 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde is CCN1CCC(=Cc2ccccc2C=O)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde?
The InChIKey is ZIOBOXZUAQXUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-16-9-7-13(8-10-16)11-14-5-3-4-6-15(14)12-17/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde?
2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde has a molecular weight of 229.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde is sourced from PubChem (CID 89415184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).