1-Benzyl-3,3-dimethylpiperidin-4-one
TL;DR: 1-Benzyl-3,3-dimethylpiperidin-4-one (CAS 173186-91-9) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,3-dimethylpiperidin-4-one
Also Known As: 1-benzyl-3,3-dimethylpiperidin-4-one, 1-benzyl-3,3-dimethyl-piperidin-4-one, 4-Piperidinone, 3,3-dimethyl-1-(phenylmethyl)-, 1-benzyl-3,3-dimethyl-4-piperidone, 8930AA
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.4876 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 369.58154 |
Chemical Identifiers
| CAS Number | 173186-91-9 |
|---|---|
| SMILES | CC1(CN(CCC1=O)CC2=CC=CC=C2)C |
Product Overview
1-Benzyl-3,3-dimethylpiperidin-4-one (CAS 173186-91-9), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 1-benzyl-3,3-dimethylpiperidin-4-one.
Chemical Property Profile of 1-Benzyl-3,3-dimethylpiperidin-4-one
Property Insights of 1-Benzyl-3,3-dimethylpiperidin-4-one
The XLogP value of 2.4876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3,3-dimethylpiperidin-4-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Benzyl-3,3-dimethylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3,3-dimethylpiperidin-4-one has 0 hydrogen bond donor(s) and 2 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-3,3-dimethylpiperidin-4-one?
The CAS number of 1-Benzyl-3,3-dimethylpiperidin-4-one is 173186-91-9.
What is the molecular formula of 1-Benzyl-3,3-dimethylpiperidin-4-one?
The molecular formula of 1-Benzyl-3,3-dimethylpiperidin-4-one is C14H19NO.
What is the molecular weight of 1-Benzyl-3,3-dimethylpiperidin-4-one?
The molecular weight of 1-Benzyl-3,3-dimethylpiperidin-4-one is 217.15 g/mol.
Where can I buy 1-Benzyl-3,3-dimethylpiperidin-4-one?
You can request a quote for 1-Benzyl-3,3-dimethylpiperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3,3-dimethylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3,3-dimethylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.