1-Phenyl-2-(2-piperidinyl)ethanone

Details

• Internal ID: 251fc3e8-8124-4225-840c-8c5c4e7ca50a
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-phenyl-2-piperidin-2-ylethanone
• InChI: InChI=1S/C13H17NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-3,6-7,12,14H,4-5,8-10H2
• InChI Key: OTMIJRNUMNXFBO-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₇NO
• Molecular Weight: 203.28 g/mol
• Exact Mass: 203.131014166 g/mol
• Topological Polar Surface Area (TPSA): 29.10 Ų
• XlogP: 2.00

Synonyms

• 30800-90-9
• SCHEMBL7860033
• 1-phenyl-2-piperidin-2-ylethanone
• 1-phenyl-2-(2-piperidinyl)ethanone
• AKOS015905018
• EN300-1126411

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
CHEMBL221	P23219	Cyclooxygenase-1	92.99%	90.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.73%	97.09%
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.91%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.93%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.78%	91.11%
CHEMBL2535	P11166	Glucose transporter	83.72%	98.75%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	83.70%	93.03%
CHEMBL5028	O14672	ADAM10	81.91%	97.50%

Plants that contains it

• Hippobroma longiflora

Cross-Links

• PubChem: 12300442
• LOTUS: LTS0188697
• wikiData: Q105199692