Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
TL;DR: Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (CAS 3939-01-3) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
Also Known As: Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride, Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride, 3-BROMOBIPHENYL, Methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride, 1-Benzyl-3-carbomethoxy-4-piperidone hydrochloride
| Molecular Formula | C14H18ClNO3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 1.67 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.09753 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 3939-01-3 |
|---|---|
| SMILES | COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl |
| InChIKey | BRADBAOVPACOQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (CAS 3939-01-3), with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol. IUPAC: methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride.
Chemical Property Profile of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
Property Insights of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
The XLogP value of 1.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride 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 Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride?
The CAS number of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride is 3939-01-3.
What is the molecular formula of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride?
The molecular formula of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride is C14H18ClNO3.
What is the molecular weight of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride?
The molecular weight of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride is 283.10 g/mol.
Where can I buy Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride?
You can request a quote for Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.