UCSF

ZINC19442263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 Yes

Popular Name: 1-methyl-4-(piperidin-4-ylmethyl)piperazine 1-methyl-4-(piperidin-4-ylmethyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219957-15-9 , 735262-46-1 , N/A , [1219957-15-9]

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) 0.44 4.24 -82.59 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 3.81 -95.71 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 1.77 -39.51 2 3 1 23 198.334 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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