3-Piperidinone, 1-(phenylmethyl)-
TL;DR: 3-Piperidinone, 1-(phenylmethyl)- (CAS 40114-49-6) is a chemical compound with molecular formula C12H15NO and molecular weight 189.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzylpiperidin-3-one
Also Known As: 1-benzylpiperidin-3-one, 1-Benzyl-3-piperidone, 1-Benzyl-3-piperidinone, 3-Piperidinone, 1-(phenylmethyl)-, n-benzyl-3-piperidinone
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | C1CC(=O)CN(C1)CC2=CC=CC=C2 |
| InChIKey | BBQQULRBTOMLTC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Piperidinone, 1-(phenylmethyl)-
Property Insights of 3-Piperidinone, 1-(phenylmethyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperidinone, 1-(phenylmethyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Piperidinone, 1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinone, 1-(phenylmethyl)- 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
What is the CAS number of 3-Piperidinone, 1-(phenylmethyl)-?
The CAS number of 3-Piperidinone, 1-(phenylmethyl)- is 40114-49-6.
What is the molecular formula of 3-Piperidinone, 1-(phenylmethyl)-?
The molecular formula of 3-Piperidinone, 1-(phenylmethyl)- is C12H15NO.
What is the molecular weight of 3-Piperidinone, 1-(phenylmethyl)-?
The molecular weight of 3-Piperidinone, 1-(phenylmethyl)- is 189.11537 g/mol.
Where can I buy 3-Piperidinone, 1-(phenylmethyl)-?
You can request a quote for 3-Piperidinone, 1-(phenylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Piperidinone, 1-(phenylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Piperidinone, 1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.