UCSF

ZINC00869658

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 17 No

Popular Name: 1-(4-Benzyl-piperidin-1-yl)-2-chloro-ethanone 1-(4-Benzyl-piperidin-1-yl)-2-ch…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 158890-32-5 , [158890-32-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 0.68 -9.01 0 2 0 20 251.757 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.