3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)
TL;DR: 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) (CAS 33426-97-0) is a chemical compound with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride
Also Known As: (+)-1-Methyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride, (+-)-1-Methyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride, (3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride, (+)-3-Hydroxy-1-methyl-3-piperidyl phenyl ketone benzoate (ester) hydrochloride, (+-)-3-Hydroxy-1-methyl-3-piperidyl phenyl ketone benzoate (ester) hydrochloride
| Molecular Formula | C20H22ClNO3 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | -1.22 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1288 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 33426-97-0 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | IXUBQARUVFRFLU-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) (CAS 33426-97-0), with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol. IUPAC: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride.
Chemical Property Profile of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)
Property Insights of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)
The XLogP value of -1.22 indicates that 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, 3-Benzoyl-1-methylpiperidin-3-yl benzoate--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 benzoate--hydrogen chloride (1/1) 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 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) is 33426-97-0.
What is the molecular formula of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) is C20H22ClNO3.
What is the molecular weight of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) is 359.13 g/mol.
Where can I buy 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Benzoyl-1-methylpiperidin-3-yl benzoate--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 benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1-methylpiperidin-3-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.