1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride
TL;DR: 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride (CAS 1082738-36-0) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride
Also Known As: (1-methyl-3-piperidyl) 2-methylbenzoate Hydrochloride, (1-methylpiperidin-3-yl) 2-methylbenzoate hydrochloride, 1-METHYLPIPERIDIN-3-YL 2-METHYLBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C14H20ClNO2 |
| Molecular Weight | 269.11826 g/mol |
| XLogP | 2.66782 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.11826 Da |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
| SMILES | CC1=CC=CC=C1C(=O)OC2CCCN(C2)C.Cl |
| InChIKey | CTIRNWJEKPKEKY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride
Property Insights of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride
The XLogP value of 2.66782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride 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-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride?
The CAS number of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride is 1082738-36-0.
What is the molecular formula of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride?
The molecular formula of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride is C14H20ClNO2.
What is the molecular weight of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride?
The molecular weight of 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride is 269.11826 g/mol.
Where can I buy 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride?
You can request a quote for 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Methylpiperidin-3-YL 2-methylbenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.