UCSF

ZINC19504179

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 Yes

Popular Name: 1-Methyl-4-(piperidin-4-yl)piperazine 1-Methyl-4-(piperidin-4-yl)piper…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219979-73-3 , 436099-90-0 , 53617-36-0 , 99726-99-5 , [1219979-73-3] , [436099-90-0] , [53617-36-0]

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) 0.06 2.83 -87.37 3 3 2 24 185.315 1 ↓
Hi High (pH 8-9.5) 5.08 11 -8.26 1 3 0 39 374.461 10 ↓
Mid Mid (pH 6-8) 0.06 1.23 -32.64 2 3 1 20 184.307 1 ↓
Mid Mid (pH 6-8) 0.06 2.64 -100.9 3 3 2 24 185.315 1 ↓
Mid Mid (pH 6-8) 0.06 0.36 -40.72 2 3 1 23 184.307 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 52-55° Oakwood Chemical
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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