TL;DR: 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) (CAS 149848-05-5) is a chemical compound with molecular formula C22H28N2O2 and molecular weight 352.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] acetate
Also Known As: alpha-Phenyl-4-(phenylmethyl)-1-piperazinepropanol acetate (ester), [3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] acetate, 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester), 3-(4-BENZYLPIPERAZIN-1-YL)-1-PHENYLPROPYL ACETATE, Acetic acid 3-(4-benzylpiperazin-1-yl)-1-phenylpropyl ester
| Molecular Formula | C22H28N2O2 |
| Molecular Weight | 352.2151 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.2151 Da |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
| SMILES | CC(=O)OC(CCN1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | QZDHUBWWPZRLEY-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) is 149848-05-5.
The molecular formula of 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) is C22H28N2O2.
The molecular weight of 1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, acetate (ester) is 352.2151 g/mol.
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