AC1O682U
3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Also Known As: 3-{[4-(4-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid|2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.2]octane-3-carboxylic acid|3-({4-[(4-methylphenyl)methyl]piperazinyl}carbonyl)bicyclo[2.2.2]octane-2-carb oxylic acid|3-(4-(4-methylbenzyl)piperazine-1-carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid|3-{[4-(4-METHYLBENZYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID|7-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.2]octane-8-carboxylic Acid
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.22565 g/mol |
| LogP | 2.77622 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.22565 |
| Monoisotopic Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 686.01434 |
Chemical Identifiers
| CAS Number | 904792-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)CC4 |
Product Overview
AC1O682U (CAS 904792-50-3), with molecular formula C22H30N2O3 and molecular weight 370.22565 g/mol. IUPAC: 3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid.