3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)
TL;DR: 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) (CAS 38221-41-9) is a chemical compound with molecular formula C21H24ClNO4 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1-methylpiperidin-3-yl) 4-methoxybenzoate;hydrochloride
Also Known As: 3-ethoxycarbonylmethyl-2-oxopiperazine, (+-)-1-Methyl-3-benzoyl-3-(p-methoxybenzoyloxy)piperidine hydrochloride hydrate, 3-benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate hydrochloride(1:1), 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1), p-Anisic acid, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, hydrate
| Molecular Formula | C21H24ClNO4 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.6211 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.13937 |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 38221-41-9 |
|---|---|
| SMILES | CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC.Cl |
| InChIKey | KXCUVPCCUJWKHB-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) (CAS 38221-41-9), with molecular formula C21H24ClNO4 and molecular weight 389.14 g/mol. IUPAC: (3-benzoyl-1-methylpiperidin-3-yl) 4-methoxybenzoate;hydrochloride.
Chemical Property Profile of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)
Property Insights of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)
The XLogP value of 3.6211 indicates that 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) 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 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) is 38221-41-9.
What is the molecular formula of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) is C21H24ClNO4.
What is the molecular weight of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) is 389.14 g/mol.
Where can I buy 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.