UCSF

ZINC02513490

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 1-benzylpiperidine-4-carboxylic acid 1-benzylpiperidine-4-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 681482-53-1 , 10315-07-8 , 681482-53-1 , [10315-07-8] , [681482-53-1]

Download: MOL2 SDF SMILES Flexibase

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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) 1.76 7.83 -59.4 1 3 0 45 219.284 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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