Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester (CAS 63916-77-8) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-dimethyl-3-(4-methylpiperidin-1-yl)propyl] benzoate
Also Known As: 2,2-Dimethyl-3-(4'-methylpiperidino)propyl benzoate, BENZOIC ACID, 2,2-DIMETHYL-3-(4'-METHYLPIPERIDINO)PROPYL ESTER, [2,2-dimethyl-3-(4-methylpiperidin-1-yl)propyl] benzoate, 2,2-Dimethyl-3-(4-methylpiperidino)propyl=benzoate, [2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl]benzoate
Technical Specifications
| Molecular Formula | C18H27NO2 |
| Molecular Weight | 289.2042 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.2042 Da |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
| SMILES | CC1CCN(CC1)CC(C)(C)COC(=O)C2=CC=CC=C2 |
| InChIKey | OYMQAWWYAKWMSI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester has 0 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 Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester is 63916-77-8.
What is the molecular formula of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester is C18H27NO2.
What is the molecular weight of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester is 289.2042 g/mol.
Where can I buy Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.