2-(Pyridin-3-yl)piperidine-1-carbaldehyde

Details

• Internal ID: 625a0163-3da4-427d-9708-4716a45152e7
• Taxonomy: Alkaloids and derivatives
• IUPAC Name: 2-pyridin-3-ylpiperidine-1-carbaldehyde
• SMILES (Canonical): C1CCN(C(C1)C2=CN=CC=C2)C=O
• SMILES (Isomeric): C1CCN(C(C1)C2=CN=CC=C2)C=O
• InChI: InChI=1S/C11H14N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h3-4,6,8-9,11H,1-2,5,7H2
• InChI Key: HEJKNKZUBYMUCI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.24 g/mol
• Exact Mass: 190.110613074 g/mol
• Topological Polar Surface Area (TPSA): 33.20 Ų
• XlogP: 1.00

Synonyms

• SCHEMBL4144800
• CHEBI:182774
• DTXSID201265902
• AKOS006278301
• 2-pyridin-3-ylpiperidine-1-carbaldehyde
• 2-(3-Pyridinyl)-1-piperidinecarboxaldehyde
• 2591-83-5

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.71%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.21%	94.45%
CHEMBL2581	P07339	Cathepsin D	90.15%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	88.69%	91.49%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	87.23%	96.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.05%	97.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	83.36%	93.03%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.32%	95.89%
CHEMBL1938212	Q9UPP1	Histone lysine demethylase PHF8	83.21%	98.33%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.72%	86.33%
CHEMBL1075145	P55072	Transitional endoplasmic reticulum ATPase	81.45%	98.50%
CHEMBL5203	P33316	dUTP pyrophosphatase	80.49%	99.18%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 55250656
• LOTUS: LTS0254517
• wikiData: Q105026855