| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 16 | Yes |
Popular Name: 4-(PIPERAZIN-1-YLMETHYL)BENZOIC ACID 4-(PIPERAZIN-1-YLMETHYL)BENZOIC …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1394820-15-5 , 220213-15-0 , 86620-70-4 , [220213-15-0] , [86620-70-4]
1-(4-carboxyphenyl methyl) piperazine
1-(4-carboxyphenylmethyl)piperazine
4-(1-Piperazinylmethyl)-benzoic acid
4-(piperazin-1-ylmethyl)benzoic acid dihydrochloride
| 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) | 0.95 | 3.06 | -80.22 | 2 | 4 | 0 | 60 | 220.272 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 1.65 | -50.6 | 1 | 4 | -1 | 55 | 219.264 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 325 - 327 | Enamine Building Blocks |
| MP | 325...327 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
