TL;DR: Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- (CAS 130908-36-0) is a chemical compound with molecular formula C34H40ClN5 and molecular weight 553.29724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-benzyl-2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
Also Known As: Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)-, 1'-benzyl-2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine], 1-BENZYL-2'-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-2',3',4',9'-TETRAHYDROSPIRO[PIPERIDINE-4,1'-PYRIDO[3,4-B]INDOLE]
| Molecular Formula | C34H40ClN5 |
| Molecular Weight | 553.29724 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 28.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.29724 Da |
| Heavy Atoms | 40 |
| Complexity | 802.0 |
| SMILES | C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)CCN6CCN(CC6)C7=CC(=CC=C7)Cl |
| InChIKey | HRVNRPHAXMKWKX-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.8 Ų, Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- is 130908-36-0.
The molecular formula of Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- is C34H40ClN5.
The molecular weight of Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-2'-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-1-(phenylmethyl)- is 553.29724 g/mol.
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