| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 17 | Yes |
Popular Name: MFCD13561505 MFCD13561505
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1220019-49-7 , N/A
2-(3-Piperidinylmethyl)-1,2,3,4-tetrahydroisoquinoline dihydrochloride
2-(3-piperidinylmethyl)-1,2,3,4-tetrahydroisoquinolinedihydrochloride
2-(Piperidin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline dihydrochloride
None
| 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) | 1.94 | 8.46 | -111.03 | 3 | 2 | 2 | 21 | 232.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.42 | -39.03 | 2 | 2 | 1 | 20 | 231.363 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.