1-Methylpiperidin-3-yl 2,3-dimethylbenzoate
TL;DR: 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate (CAS 6593-91-5) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-3-yl) 2,3-dimethylbenzoate
Also Known As: 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate, (1-methylpiperidin-3-yl) 2,3-dimethylbenzoate
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.55444 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 442.11978 |
Chemical Identifiers
| CAS Number | 6593-91-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC2CCCN(C2)C)C |
Product Overview
1-Methylpiperidin-3-yl 2,3-dimethylbenzoate (CAS 6593-91-5), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: (1-methylpiperidin-3-yl) 2,3-dimethylbenzoate.
Chemical Property Profile of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate
Property Insights of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate
The XLogP value of 2.55444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate 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
Frequently Asked Questions
What is the CAS number of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate?
The CAS number of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate is 6593-91-5.
What is the molecular formula of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate?
The molecular formula of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate is C15H21NO2.
What is the molecular weight of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate?
The molecular weight of 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate is 247.16 g/mol.
Where can I buy 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate?
You can request a quote for 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-3-yl 2,3-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.