1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine
TL;DR: 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine (CAS 524059-61-8) is a chemical compound with molecular formula C18H26N2O and molecular weight 286.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
Also Known As: 1-(2-methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine, AN-153/43309780, [1-(2-methylbenzyl)piperidin-3-yl](pyrrolidin-1-yl)methanone, [1-[(2-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone, 1-[(2-methylphenyl)methyl](3-piperidyl) pyrrolidinyl ketone
| Molecular Formula | C18H26N2O |
|---|---|
| Molecular Weight | 286.20 g/mol |
| LogP | 2.82942 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.2045 |
| Heavy Atoms | 21 |
| Complexity | 493.7466 |
Chemical Identifiers
| CAS Number | 524059-61-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCC3 |
Product Overview
1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine (CAS 524059-61-8), with molecular formula C18H26N2O and molecular weight 286.20 g/mol. IUPAC: [1-[(2-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine
Property Insights of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine
The XLogP value of 2.82942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine?
The CAS number of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine is 524059-61-8.
What is the molecular formula of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine?
The molecular formula of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine is C18H26N2O.
What is the molecular weight of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine?
The molecular weight of 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine is 286.20 g/mol.
Where can I buy 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine?
You can request a quote for 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylbenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.