(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
TL;DR: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one (CAS 36106-49-7) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
Also Known As: 3a-Hydroxy-1,3-dimethyl-6-phenyl-4-piperidone, (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one, 4-Piperidinone, 5-hydroxy-1,5-dimethyl-2-phenyl-, trans-
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.3833 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 386.1789 |
Chemical Identifiers
| CAS Number | 36106-49-7 |
|---|---|
| SMILES | C[C@@]1(CN([C@@H](CC1=O)C2=CC=CC=C2)C)O |
Product Overview
(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one (CAS 36106-49-7), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one.
Chemical Property Profile of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
Property Insights of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
The XLogP value of 1.3833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one. With a topological polar surface area (TPSA) of 40.54 Ų, (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one 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 (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The CAS number of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one is 36106-49-7.
What is the molecular formula of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The molecular formula of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one is C13H17NO2.
What is the molecular weight of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The molecular weight of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one is 219.13 g/mol.
Where can I buy (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
You can request a quote for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.