4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde

C14H17F2NO2 — CID 55146964

IUPAC4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
SMILESCCOC1CCCN(c2c(F)cc(C=O)cc2F)C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-11-4-3-5-17(8-11)14-12(15)6-10(9-18)7-13(14)16/h6-7,9,11H,2-5,8H2,1H3
InChIKeySUIGKFBNPXGLMG-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.78
Rot. Bonds4

About 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde

4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde (PubChem CID 55146964) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
PubChem CID55146964
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
SMILESCCOC1CCCN(c2c(F)cc(C=O)cc2F)C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-11-4-3-5-17(8-11)14-12(15)6-10(9-18)7-13(14)16/h6-7,9,11H,2-5,8H2,1H3
InChIKeySUIGKFBNPXGLMG-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde 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 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde (CID 55146964) is 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde is CCOC1CCCN(c2c(F)cc(C=O)cc2F)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde?
The InChIKey is SUIGKFBNPXGLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-2-19-11-4-3-5-17(8-11)14-12(15)6-10(9-18)7-13(14)16/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde?
4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde has a molecular weight of 269.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 55146964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).