1-(3-Bromobenzyl)-2-carboxypiperidine
TL;DR: 1-(3-Bromobenzyl)-2-carboxypiperidine (CAS 1042949-88-1) is a chemical compound with molecular formula C13H16BrNO2 and molecular weight 297.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-bromophenyl)methyl]piperidine-2-carboxylic acid
Also Known As: 1-(3-Bromobenzyl)-2-carboxypiperidine, 1-(3-Bromobenzyl)piperidine-2-carboxylic acid, 1-[(3-bromophenyl)methyl]piperidine-2-carboxylic Acid, 1-[(3-BROMOPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C13H16BrNO2 |
| Molecular Weight | 297.03644 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.03644 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | C1CCN(C(C1)C(=O)O)CC2=CC(=CC=C2)Br |
| InChIKey | BFMNGZCNWWGMDR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Bromobenzyl)-2-carboxypiperidine
Property Insights of 1-(3-Bromobenzyl)-2-carboxypiperidine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromobenzyl)-2-carboxypiperidine. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(3-Bromobenzyl)-2-carboxypiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzyl)-2-carboxypiperidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Bromobenzyl)-2-carboxypiperidine?
The CAS number of 1-(3-Bromobenzyl)-2-carboxypiperidine is 1042949-88-1.
What is the molecular formula of 1-(3-Bromobenzyl)-2-carboxypiperidine?
The molecular formula of 1-(3-Bromobenzyl)-2-carboxypiperidine is C13H16BrNO2.
What is the molecular weight of 1-(3-Bromobenzyl)-2-carboxypiperidine?
The molecular weight of 1-(3-Bromobenzyl)-2-carboxypiperidine is 297.03644 g/mol.
Where can I buy 1-(3-Bromobenzyl)-2-carboxypiperidine?
You can request a quote for 1-(3-Bromobenzyl)-2-carboxypiperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Bromobenzyl)-2-carboxypiperidine?
Yes, CoreyChem provides custom synthesis services for 1-(3-Bromobenzyl)-2-carboxypiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.