Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
TL;DR: Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 69782-42-9) is a chemical compound with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride
Also Known As: NICOTINIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-Pyridinecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride, RefChem:1092399
| Molecular Formula | C15H23ClN2O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | -1.91 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1448 |
| Heavy Atoms | 20 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 69782-42-9 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CN=CC=C2.[Cl-] |
| InChIKey | FJKDWSGEIKODMU-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 69782-42-9), with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride.
Chemical Property Profile of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
Property Insights of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
The XLogP value of -1.91 indicates that Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.6 Ų, Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The CAS number of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride is 69782-42-9.
What is the molecular formula of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular formula of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride is C15H23ClN2O2.
What is the molecular weight of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular weight of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride is 298.14 g/mol.
Where can I buy Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride?
You can request a quote for Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.