4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride
TL;DR: 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride (CAS 3612-12-2) is a chemical compound with molecular formula C16H24ClNO5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, 1-Methyl-4-piperidyl 3,4,5-trimethoxybenzoate hydrochloride, (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate;hydrochloride, Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-4-piperidinyl ester, hydrochloride, 1-METHYLPIPERIDIN-4-YL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE
| Molecular Formula | C16H24ClNO5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 2.3852 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.1343 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 3612-12-2 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl |
| InChIKey | SKJRZXWJRHREEE-UHFFFAOYSA-N |
Product Overview
4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride (CAS 3612-12-2), with molecular formula C16H24ClNO5 and molecular weight 345.13 g/mol. IUPAC: (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride
Property Insights of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride
The XLogP value of 2.3852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride. With a topological polar surface area (TPSA) of 57.2 Ų, 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride has 1 hydrogen bond donor(s) and 6 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 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride?
The CAS number of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride is 3612-12-2.
What is the molecular formula of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride?
The molecular formula of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride is C16H24ClNO5.
What is the molecular weight of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride?
The molecular weight of 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride is 345.13 g/mol.
Where can I buy 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride?
You can request a quote for 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 1-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.