| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 19 | Yes |
Popular Name: N-Benzyl-N'-(carboethoxymethyl)piperazine N-Benzyl-N'-(carboethoxymethyl)p…
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CAS Number: 23173-76-4
1-BENZYL-4-(ETHOXYCARBONYLMETHYL)PIPERAZINE
1-Benzyl-4-(ethoxycarbonylmethyl)piperazine, 98%
| 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) | 1.87 | 7.42 | -36.16 | 1 | 4 | 1 | 34 | 263.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 7.59 | -38.51 | 1 | 4 | 1 | 34 | 263.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 5.21 | -5.83 | 0 | 4 | 0 | 33 | 262.353 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 155-160?/0.8mm | Alfa-Aesar |
| Boiling_Point | 155-160°/0.8mm | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.