Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)
TL;DR: Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) (CAS 57152-98-4) is a chemical compound with molecular formula C15H22BrNO2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Also Known As: (+)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide, (+-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide, NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (Z)-(+)-, (+)-cis-1-Methyl-4-phenyl-piperidin-3-carbonsaeure-aethylester-hydrobromid [German], ethyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
| Molecular Formula | C15H22BrNO2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | -2.13 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0834 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 57152-98-4 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[NH+](CC[C@@H]1C2=CC=CC=C2)C.[Br-] |
| InChIKey | SOPKAMUVMLDCBE-DTPOWOMPSA-N |
Product Overview
Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) (CAS 57152-98-4), with molecular formula C15H22BrNO2 and molecular weight 327.08 g/mol. IUPAC: ethyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide.
Chemical Property Profile of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)
Property Insights of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)
The XLogP value of -2.13 indicates that Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) has 1 hydrogen bond donor(s) and 3 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 Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)?
The CAS number of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) is 57152-98-4.
What is the molecular formula of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)?
The molecular formula of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) is C15H22BrNO2.
What is the molecular weight of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)?
The molecular weight of Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) is 327.08 g/mol.
Where can I buy Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)?
You can request a quote for Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-4-phenylpiperidine-3-carboxylate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.