4-Piperidone, 1-(3,4-dimethoxyphenethyl)-
TL;DR: 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- (CAS 3612-14-4) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
Also Known As: 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-, 1-(3,4-Dimethoxyphenethyl)-4-piperidone, 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one, 5-21-06-00426 (Beilstein Handbook Reference), BAS 01127756
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 3612-14-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CCC(=O)CC2)OC |
| InChIKey | UANQOYWHAIDBHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Piperidone, 1-(3,4-dimethoxyphenethyl)- (CAS 3612-14-4), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one.
Chemical Property Profile of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-
Property Insights of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-. With a topological polar surface area (TPSA) of 38.8 Ų, 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- has 0 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 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-?
The CAS number of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- is 3612-14-4.
What is the molecular formula of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-?
The molecular formula of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- is C15H21NO3.
What is the molecular weight of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-?
The molecular weight of 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- is 263.15 g/mol.
Where can I buy 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-?
You can request a quote for 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidone, 1-(3,4-dimethoxyphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidone, 1-(3,4-dimethoxyphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.