1-(3,4,5-trimethoxybenzyl)piperidin-4-amine
TL;DR: 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine (CAS 57645-84-8) is a chemical compound with molecular formula C21H27ClN2O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-methylsulfonylbenzamide;hydrochloride
Also Known As: 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine, 2-Methoxy-5-(methylsulfonyl)-N-(1-(phenylmethyl)-4-piperidinyl)benzamide hydrochloride, Benzamide, 2-methoxy-5-(methylsulfonyl)-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride, N-(1-benzylpiperidin-4-yl)-2-methoxy-5-methylsulfonylbenzamide hydrochloride, N-(1-benzylpiperidin-4-yl)-2-methoxy-5-methylsulfonylbenzamide,hydrochloride
| Molecular Formula | C21H27ClN2O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 2.9149 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.138 |
| Heavy Atoms | 29 |
| Complexity | 926.9522 |
Chemical Identifiers
| CAS Number | 57645-84-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl |
Product Overview
1-(3,4,5-trimethoxybenzyl)piperidin-4-amine (CAS 57645-84-8), with molecular formula C21H27ClN2O4S and molecular weight 438.14 g/mol. IUPAC: N-(1-benzylpiperidin-4-yl)-2-methoxy-5-methylsulfonylbenzamide;hydrochloride.
Chemical Property Profile of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine
Property Insights of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine
The XLogP value of 2.9149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine. Following Lipinski's Rule of Five, 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine has 1 hydrogen bond donor(s) and 5 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-(3,4,5-trimethoxybenzyl)piperidin-4-amine?
The CAS number of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine is 57645-84-8.
What is the molecular formula of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine?
The molecular formula of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine is C21H27ClN2O4S.
What is the molecular weight of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine?
The molecular weight of 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine is 438.14 g/mol.
Where can I buy 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine?
You can request a quote for 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-trimethoxybenzyl)piperidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.