TL;DR: Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- (CAS 113952-79-7) is a chemical compound with molecular formula C29H38N2O2 and molecular weight 446.29333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-[1-(4-methylbenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(4-methylphenyl)methanone
Also Known As: Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)-, [Propane-1,3-diyldi(piperidine-4,1-diyl)]bis[(4-methylphenyl)methanone], [4-[3-[1-(4-methylbenzoyl)-4-piperidyl]propyl]-1-piperidyl]-(4-methylphenyl)methanone, [4-[3-[1-(4-methylbenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(4-methylphenyl)methanone, 4-methylphenyl 4-(3-{1-[(4-methylphenyl)carbonyl](4-piperidyl)}propyl)piperidy l ketone
| Molecular Formula | C29H38N2O2 |
| Molecular Weight | 446.29333 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.29333 Da |
| Heavy Atoms | 33 |
| Complexity | 564.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCC3CCN(CC3)C(=O)C4=CC=C(C=C4)C |
| InChIKey | DLTBOIGCADTVIF-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- is 113952-79-7.
The molecular formula of Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- is C29H38N2O2.
The molecular weight of Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- is 446.29333 g/mol.
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