1-[(2-Hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol

Details

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Internal ID d62d859f-b114-4cb7-bc6b-60e4f5567d3e
Taxonomy Organoheterocyclic compounds > Piperidines > Benzylpiperidines > N-benzylpiperidines
IUPAC Name 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
SMILES (Canonical) C1CCN(C(C1)(C2=CN=CC=C2)O)CC3=CC=CC=C3O
SMILES (Isomeric) C1CCN(C(C1)(C2=CN=CC=C2)O)CC3=CC=CC=C3O
InChI InChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2
InChI Key BBKITNAKQHKIJO-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H20N2O2
Molecular Weight 284.35 g/mol
Exact Mass 284.152477885 g/mol
Topological Polar Surface Area (TPSA) 56.60 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-[(2-Hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.78% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.66% 96.09%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 93.66% 97.98%
CHEMBL2581 P07339 Cathepsin D 92.68% 98.95%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 92.30% 93.10%
CHEMBL4208 P20618 Proteasome component C5 88.71% 90.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.72% 93.40%
CHEMBL5805 Q9NR97 Toll-like receptor 8 87.37% 96.25%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.25% 94.62%
CHEMBL3038469 P24941 CDK2/Cyclin A 84.14% 91.38%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.63% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.66% 94.45%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.51% 94.08%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.19% 93.81%
CHEMBL1741221 Q9Y4P1 Cysteine protease ATG4B 81.63% 87.50%
CHEMBL308 P06493 Cyclin-dependent kinase 1 80.79% 91.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.61% 90.24%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.06% 91.81%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Alangium chinense

Cross-Links

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PubChem 73356513
LOTUS LTS0265722
wikiData Q104922810