Compound Summary
Compound Information
21102-95-4
Compound Name: | 21102-95-4 |
Compound CID: | 210172 |
Synonyms: | 21102-95-4 |
Iupac Name: | 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride |
InChI: | InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H |
InChIKey: | NIBOMXUDFLRHRV-UHFFFAOYSA-N |
Canonical Smiles: | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl |
Isomeric Smiles: | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl |
Molecular Weight: | 458.4 |
Molecular Formula: | C22H33Cl2N3O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
21102-95-4
Molecular Weight: | 458.4 |
Molecular Formula: | C22H33Cl2N3O3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 30 |
Complexity: | 547 |
Synonyms
21102-95-4
Experimental Data
21102-95-4
Experimental Data Visualization
21102-95-4
Statistics Data
21102-95-4
Statistics Data Visualization
21102-95-4
