3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde

C14H16FNO3 — CID 103850091

IUPAC3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H16FNO3/c15-12-8-11(9-17)4-5-13(12)19-10-14(18)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2
InChIKeyYTLBHBCPOJDMAC-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.03
Rot. Bonds4

About 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde

3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde (PubChem CID 103850091) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
PubChem CID103850091
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H16FNO3/c15-12-8-11(9-17)4-5-13(12)19-10-14(18)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2
InChIKeyYTLBHBCPOJDMAC-UHFFFAOYSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.03
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

3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
CID 107691958
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde
CID 107689650
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
4-nitro-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 62116413
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde (CID 103850091) is 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde is O=Cc1ccc(OCC(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The InChIKey is YTLBHBCPOJDMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-8-11(9-17)4-5-13(12)19-10-14(18)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde has a molecular weight of 265.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 103850091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).