2-(3-ethoxypiperidin-1-yl)benzaldehyde

C14H19NO2 — CID 54990320

IUPAC2-(3-ethoxypiperidin-1-yl)benzaldehyde
SMILESCCOC1CCCN(c2ccccc2C=O)C1
InChIInChI=1S/C14H19NO2/c1-2-17-13-7-5-9-15(10-13)14-8-4-3-6-12(14)11-16/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3
InChIKeyRYPUAGITNMYIDN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds4

About 2-(3-ethoxypiperidin-1-yl)benzaldehyde

2-(3-ethoxypiperidin-1-yl)benzaldehyde (PubChem CID 54990320) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)benzaldehyde
PubChem CID54990320
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3-ethoxypiperidin-1-yl)benzaldehyde
SMILESCCOC1CCCN(c2ccccc2C=O)C1
InChIInChI=1S/C14H19NO2/c1-2-17-13-7-5-9-15(10-13)14-8-4-3-6-12(14)11-16/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3
InChIKeyRYPUAGITNMYIDN-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 63787234
(1R)-1-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 55183213
1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
CID 55146964
3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
CID 106529175
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
(E)-3-[4-chloro-2-(3-ethoxypiperidin-1-yl)phenyl]prop-2-enoic acid
CID 114858335
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)benzaldehyde?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)benzaldehyde (CID 54990320) is 2-(3-ethoxypiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)benzaldehyde?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)benzaldehyde is CCOC1CCCN(c2ccccc2C=O)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)benzaldehyde?
The InChIKey is RYPUAGITNMYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-13-7-5-9-15(10-13)14-8-4-3-6-12(14)11-16/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)benzaldehyde?
2-(3-ethoxypiperidin-1-yl)benzaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 54990320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).