RefChem:340666
2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;dihydrochloride
Also Known As: Ethanol, 2,2'-((2-(4-piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-, dihydrochloride|2,2'-((2-(4-Piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-ethanol dihydrochloride|2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidi|2,2'-[(2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4-yl)azanediyl]di(ethan-1-ol)--hydrogen chloride (1/2)|2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol dihydrochloride
| Molecular Formula | C20H29Cl2N5O4 |
|---|---|
| Molecular Weight | 473.15967 g/mol |
| LogP | 1.1621 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.15967 |
| Monoisotopic Mass | 473.15967 |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 3601-74-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N(CCO)CCO.Cl.Cl |
| InChIKey | HTONMLDHAWVBBR-UHFFFAOYSA-N |
Product Overview
RefChem:340666 (CAS 3601-74-9), with molecular formula C20H29Cl2N5O4 and molecular weight 473.15967 g/mol. IUPAC: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;dihydrochloride.