(2R,4R,9aS)-2-methyl-4-[[(2S)-piperidin-2-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

Details

• Internal ID: 77c1d07f-f457-4505-a3bd-f7c96ab79e39
• Taxonomy: Organoheterocyclic compounds > Quinolizines
• IUPAC Name: (2R,4R,9aS)-2-methyl-4-[[(2S)-piperidin-2-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
• SMILES (Canonical): CC1CC2CCCCN2C(C1)CC3CCCCN3
• SMILES (Isomeric): C[C@@H]1C[C@@H]2CCCCN2[C@H](C1)C[C@@H]3CCCCN3
• InChI: InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3/t13-,14+,15+,16-/m1/s1
• InChI Key: HXFURELRXGRSMC-FXUDXRNXSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₀N₂
• Molecular Weight: 250.42 g/mol
• Exact Mass: 250.240898965 g/mol
• Topological Polar Surface Area (TPSA): 15.30 Ų
• XlogP: 3.40

Synonyms

There are no found synonyms.

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	97.48%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.19%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.65%	96.09%
CHEMBL228	P31645	Serotonin transporter	93.92%	95.51%
CHEMBL238	Q01959	Dopamine transporter	93.08%	95.88%
CHEMBL2581	P07339	Cathepsin D	90.62%	98.95%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	90.32%	98.99%
CHEMBL1978	P11511	Cytochrome P450 19A1	90.19%	91.76%
CHEMBL2916	O14746	Telomerase reverse transcriptase	89.93%	90.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	88.33%	95.50%
CHEMBL237	P41145	Kappa opioid receptor	87.39%	98.10%
CHEMBL3012	Q13946	Phosphodiesterase 7A	87.14%	99.29%
CHEMBL5203	P33316	dUTP pyrophosphatase	86.69%	99.18%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	86.54%	90.71%
CHEMBL3105	P09874	Poly [ADP-ribose] polymerase-1	86.34%	93.90%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.70%	85.14%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.38%	89.62%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	84.12%	94.78%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	83.85%	96.03%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.80%	95.89%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.94%	93.04%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	82.20%	98.33%
CHEMBL3922	P50579	Methionine aminopeptidase 2	81.80%	97.28%
CHEMBL2095194	P08709	Coagulation factor VII/tissue factor	81.60%	99.17%
CHEMBL1938212	Q9UPP1	Histone lysine demethylase PHF8	80.80%	98.33%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	80.67%	95.61%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.65%	82.69%
CHEMBL1163125	O60885	Bromodomain-containing protein 4	80.30%	97.31%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	80.25%	90.24%
CHEMBL1873	P00750	Tissue-type plasminogen activator	80.07%	93.33%

Plants that contains it

• Lycopodiella cernua

Cross-Links

• PubChem: 163006132
• LOTUS: LTS0154735
• wikiData: Q105110609