3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde

C14H18FNO2 — CID 106529175

IUPAC3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
SMILESCCOC1CCCN(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C14H18FNO2/c1-2-18-14-4-3-5-16(9-14)13-7-11(10-17)6-12(15)8-13/h6-8,10,14H,2-5,9H2,1H3
InChIKeyLHUOLSRXQFJXKU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds4

About 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde

3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde (PubChem CID 106529175) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
PubChem CID106529175
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
SMILESCCOC1CCCN(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C14H18FNO2/c1-2-18-14-4-3-5-16(9-14)13-7-11(10-17)6-12(15)8-13/h6-8,10,14H,2-5,9H2,1H3
InChIKeyLHUOLSRXQFJXKU-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
CID 55146964
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
3-fluoro-5-(4-methylsulfanylazepan-1-yl)benzaldehyde
CID 114237292
2-(3-ethoxypiperidin-1-yl)benzaldehyde
CID 54990320
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
methyl N-[1-(3-fluoro-5-formylphenyl)pyrrolidin-3-yl]carbamate
CID 106529376
3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorobenzaldehyde
CID 106529288
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305
3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde
CID 106315144
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde (CID 106529175) is 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde is CCOC1CCCN(c2cc(F)cc(C=O)c2)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde?
The InChIKey is LHUOLSRXQFJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-14-4-3-5-16(9-14)13-7-11(10-17)6-12(15)8-13/h6-8,10,14H,2-5,9H2,1H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde?
3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde has a molecular weight of 251.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 106529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).