TL;DR: Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- (CAS 3414-78-6) is a chemical compound with molecular formula C20H24N4 and molecular weight 320.2001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
Also Known As: 3-((4-Benzylpiperazinyl)methyl)-5-indoleamine, INDOLE, 5-AMINO-3-((4-BENZYLPIPERAZINYL)METHYL)-, Piperazine, 1-(5-amino-3-indolylmethyl)-4-benzyl-, 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine, 5-23-03-00097 (Beilstein Handbook Reference)
| Molecular Formula | C20H24N4 |
| Molecular Weight | 320.2001 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.2001 Da |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)N |
| InChIKey | FOXCFIPZINDAQU-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)-. With a topological polar surface area (TPSA) of 48.3 Ų, Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- is 3414-78-6.
The molecular formula of Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- is C20H24N4.
The molecular weight of Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)- is 320.2001 g/mol.
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