| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2013 | 16 | No |
Popular Name: 1-Benzyl-4-cyano-4-hydroxypiperidine, 98% 1-Benzyl-4-cyano-4-hydroxypiperi…
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CAS Number: 6094-60-6
| 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) | 1.35 | 4.94 | -42.94 | 2 | 3 | 1 | 48 | 217.292 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 2.69 | -6.27 | 1 | 3 | 0 | 47 | 216.284 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 95 - 102 | Acros Organics |
| Melting_Point | 95-99? | Alfa-Aesar |
| Melting_Point | 95-99° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.