1-Benzyl-4-piperidone oxime
TL;DR: 1-Benzyl-4-piperidone oxime (CAS 949-69-9) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpiperidin-4-ylidene)hydroxylamine
Also Known As: 1-Benzylpiperidin-4-one oxime, 1-Benzyl-piperidin-4-one oxime, 1-Benzyl-4-piperidone oxime, 1-Benzyl-4-piperidinone oxime, 1-benzyl-4-piperidon
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 949-69-9 |
|---|---|
| SMILES | C1CN(CCC1=NO)CC2=CC=CC=C2 |
| InChIKey | VIMRHNNRKUWOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-piperidone oxime (CAS 949-69-9), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: N-(1-benzylpiperidin-4-ylidene)hydroxylamine.
Chemical Property Profile of 1-Benzyl-4-piperidone oxime
Property Insights of 1-Benzyl-4-piperidone oxime
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-piperidone oxime. With a topological polar surface area (TPSA) of 35.8 Ų, 1-Benzyl-4-piperidone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-piperidone oxime 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 1-Benzyl-4-piperidone oxime?
The CAS number of 1-Benzyl-4-piperidone oxime is 949-69-9.
What is the molecular formula of 1-Benzyl-4-piperidone oxime?
The molecular formula of 1-Benzyl-4-piperidone oxime is C12H16N2O.
What is the molecular weight of 1-Benzyl-4-piperidone oxime?
The molecular weight of 1-Benzyl-4-piperidone oxime is 204.13 g/mol.
Where can I buy 1-Benzyl-4-piperidone oxime?
You can request a quote for 1-Benzyl-4-piperidone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-piperidone oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-piperidone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.