In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 12 | Yes |
Popular Name: MFCD13561591 MFCD13561591
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219980-00-3 , 202991-92-2
1-methyl-4-(3-pyrrolidinyl)piperazine
1-Methyl-4-(3-pyrrolidinyl)piperazine dihydrochloride
1-methyl-4-(3-pyrrolidinyl)piperazine trihydrochloride
1-Methyl-4-(3-pyrrolidinyl)piperazinedihydrochloride
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) | 0.14 | 0.83 | -31.85 | 2 | 3 | 1 | 20 | 170.28 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.14 | 0.87 | -33.27 | 2 | 3 | 1 | 20 | 170.28 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.14 | -1.5 | -1.62 | 1 | 3 | 0 | 19 | 169.272 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.14 | 0.02 | -40.35 | 2 | 3 | 1 | 23 | 170.28 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.14 | 2.5 | -86.71 | 3 | 3 | 2 | 24 | 171.288 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.14 | 2.26 | -107.13 | 3 | 3 | 2 | 24 | 171.288 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |