3-(Phenylmethyl)-2-piperidinone
TL;DR: 3-(Phenylmethyl)-2-piperidinone (CAS 81976-72-9) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylpiperidin-2-one
Also Known As: 3-benzylpiperidin-2-one, 3-benzyl-2-piperidone, 3-benzyl-2-pipe-ridone, 3-Benzylpiperidine-2-one, 3-phenylmethyl-2-piperidinone
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.7553 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 307.35757 |
Chemical Identifiers
| CAS Number | 81976-72-9 |
|---|---|
| SMILES | C1CC(C(=O)NC1)CC2=CC=CC=C2 |
Product Overview
3-(Phenylmethyl)-2-piperidinone (CAS 81976-72-9), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 3-benzylpiperidin-2-one.
Chemical Property Profile of 3-(Phenylmethyl)-2-piperidinone
Property Insights of 3-(Phenylmethyl)-2-piperidinone
The XLogP value of 1.7553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylmethyl)-2-piperidinone. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(Phenylmethyl)-2-piperidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylmethyl)-2-piperidinone has 1 hydrogen bond donor(s) and 1 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 3-(Phenylmethyl)-2-piperidinone?
The CAS number of 3-(Phenylmethyl)-2-piperidinone is 81976-72-9.
What is the molecular formula of 3-(Phenylmethyl)-2-piperidinone?
The molecular formula of 3-(Phenylmethyl)-2-piperidinone is C12H15NO.
What is the molecular weight of 3-(Phenylmethyl)-2-piperidinone?
The molecular weight of 3-(Phenylmethyl)-2-piperidinone is 189.12 g/mol.
Where can I buy 3-(Phenylmethyl)-2-piperidinone?
You can request a quote for 3-(Phenylmethyl)-2-piperidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylmethyl)-2-piperidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylmethyl)-2-piperidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.