UCSF

ZINC19702362

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 13 Yes

Popular Name: 1-(Pyridin-3-ylmethyl)piperazine 1-(Pyridin-3-ylmethyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1158392-64-3 , 1158392-64-3, 39244-80-9 , 1256633-15-4 , 333992-77-1 , 39244-80-9 , 510725-49-2 , N/A , [39244-80-9] , [510725-49-2]

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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) -0.20 1.66 -42.73 2 3 1 33 178.259 2 ↓
Hi High (pH 8-9.5) -0.20 0.25 -4.26 1 3 0 28 177.251 2 ↓
Lo Low (pH 4.5-6) -0.20 2.11 -86.42 3 3 2 34 179.267 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 84-86°/0.1mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999054308A1 IBM Patent Data

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