1-[6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol

Details

• Internal ID: 2084c018-0687-4968-8f88-b5f51c5a5d28
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines
• IUPAC Name: 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol
• SMILES (Canonical): CC(CC1CCCC(N1C)CC(C2=CC=CC=C2)O)O
• SMILES (Isomeric): CC(CC1CCCC(N1C)CC(C2=CC=CC=C2)O)O
• InChI: InChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3
• InChI Key: VYSOSWOCGBPIDU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₇NO₂
• Molecular Weight: 277.40 g/mol
• Exact Mass: 277.204179104 g/mol
• Topological Polar Surface Area (TPSA): 43.70 Ų
• XlogP: 2.50

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
CHEMBL2581	P07339	Cathepsin D	97.68%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.12%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	93.18%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.93%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.96%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.57%	97.25%
CHEMBL3902	P09211	Glutathione S-transferase Pi	86.14%	93.81%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.34%	93.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.40%	95.89%

Plants that contains it

• Sedum acre

Cross-Links

• PubChem: 162976549
• LOTUS: LTS0205082
• wikiData: Q105299310