2-Methyl-6-propylpiperidine

Details

• Internal ID: f281f411-0295-4222-bd1c-cc1872beb697
• Taxonomy: Alkaloids and derivatives
• IUPAC Name: 2-methyl-6-propylpiperidine
• SMILES (Canonical): CCCC1CCCC(N1)C
• SMILES (Isomeric): CCCC1CCCC(N1)C
• InChI: InChI=1S/C9H19N/c1-3-5-9-7-4-6-8(2)10-9/h8-10H,3-7H2,1-2H3
• InChI Key: BHBZNQCZKUGKCJ-UHFFFAOYSA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₉N
• Molecular Weight: 141.25 g/mol
• Exact Mass: 141.151749610 g/mol
• Topological Polar Surface Area (TPSA): 12.00 Ų
• XlogP: 2.40

Synonyms

• 68170-79-6
• Dihydropinidine
• 2-Methyl-6-propyl-piperidine
• SCHEMBL2698232
• DTXSID60340696
• BHBZNQCZKUGKCJ-UHFFFAOYSA-N
• AKOS006348473
• EN300-693007

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.33%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.33%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.18%	97.09%
CHEMBL2581	P07339	Cathepsin D	93.15%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	89.28%	95.93%
CHEMBL5203	P33316	dUTP pyrophosphatase	86.55%	99.18%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	85.94%	97.23%
CHEMBL206	P03372	Estrogen receptor alpha	84.23%	97.64%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	82.01%	90.71%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.38%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.09%	94.45%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	80.44%	97.64%
CHEMBL2996	Q05655	Protein kinase C delta	80.30%	97.79%
CHEMBL2916	O14746	Telomerase reverse transcriptase	80.06%	90.00%

Plants that contains it

• Picea abies
• Picea sitchensis

Cross-Links

• PubChem: 566623
• LOTUS: LTS0273100
• wikiData: Q82110474