1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
TL;DR: 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine (CAS 113045-24-2) is a chemical compound with molecular formula C29H35ClN2O3S and molecular weight 526.2057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-benzylsulfonyl-N-methylbenzamide;hydrochloride
Also Known As: BBSBMEP, Sid 774451, 1-Benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine, N-Methyl-N-(4'-(1'-benzylpiperidine)ethyl)-4-benzylsulfonylbenzamide hydrochloride, N-[2-(1-Benzyl-4-piperidinyl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide hydrochloride
Technical Specifications
| Molecular Formula | C29H35ClN2O3S |
| Molecular Weight | 526.2057 g/mol |
| XLogP | 5.4566 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.2057 Da |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
| SMILES | CN(CCC1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)CC4=CC=CC=C4.Cl |
| InChIKey | PGGCKJQZYSSGNI-UHFFFAOYSA-N |
Chemical Property Profile of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
Property Insights of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
The XLogP value of 5.4566 indicates that 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine. Following Lipinski's Rule of Five, 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine?
The CAS number of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine is 113045-24-2.
What is the molecular formula of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine?
The molecular formula of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine is C29H35ClN2O3S.
What is the molecular weight of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine?
The molecular weight of 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine is 526.2057 g/mol.
Where can I buy 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine?
You can request a quote for 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine?
Yes, CoreyChem provides custom synthesis services for 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.