trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol
TL;DR: trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol (CAS 120729-74-0) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S,6S)-4-ethynyl-6-(4-methoxyphenyl)-1,3-dimethylpiperidine-3,4-diol
Also Known As: trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol, 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methoxyphenyl)-, (3-alpha,4-alpha,6-beta)-, (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol, (3S,4S,6S)-4-ethynyl-6-(4-methoxyphenyl)-1,3-dimethylpiperidine-3,4-diol, 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methoxyphenyl)-, (3-alpha,4-beta,6-beta)-
Technical Specifications
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.15213 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.15213 Da |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
| SMILES | C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)C2=CC=C(C=C2)OC)C)O |
| InChIKey | PSZNYNIWWBSFKB-HRCADAONSA-N |
Chemical Property Profile of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol
Property Insights of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol. With a topological polar surface area (TPSA) of 52.9 Ų, trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol?
The CAS number of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol is 120729-74-0.
What is the molecular formula of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol?
The molecular formula of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol is C16H21NO3.
What is the molecular weight of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol?
The molecular weight of trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol is 275.15213 g/mol.
Where can I buy trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol?
You can request a quote for trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol?
Yes, CoreyChem provides custom synthesis services for trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.