3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde

C13H16FNO2 — CID 142187214

IUPAC3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde
SMILESCN1CCC(O)(c2c(F)cccc2C=O)CC1
InChIInChI=1S/C13H16FNO2/c1-15-7-5-13(17,6-8-15)12-10(9-16)3-2-4-11(12)14/h2-4,9,17H,5-8H2,1H3
InChIKeyGGLPPVPQBPWUML-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.55
Rot. Bonds2

About 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde

3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde (PubChem CID 142187214) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde
PubChem CID142187214
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde
SMILESCN1CCC(O)(c2c(F)cccc2C=O)CC1
InChIInChI=1S/C13H16FNO2/c1-15-7-5-13(17,6-8-15)12-10(9-16)3-2-4-11(12)14/h2-4,9,17H,5-8H2,1H3
InChIKeyGGLPPVPQBPWUML-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde?
The IUPAC name of 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde (CID 142187214) is 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde is CN1CCC(O)(c2c(F)cccc2C=O)CC1.
What is the InChIKey of 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde?
The InChIKey is GGLPPVPQBPWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-7-5-13(17,6-8-15)12-10(9-16)3-2-4-11(12)14/h2-4,9,17H,5-8H2,1H3.
What are the key properties of 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde?
3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde has a molecular weight of 237.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde is sourced from PubChem (CID 142187214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).