1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate
TL;DR: 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate (CAS 92956-04-2) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Also Known As: 1-Methyl-3-piperidyl phenyl(propynyl)glycolate, 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate, MANDELIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-3-PIPERIDYL ESTER, (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate, alpha-(1-Propynyl)-alpha-hydroxybenzeneacetic acid 1-methyl-3-piperidinyl ester
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 92956-04-2 |
|---|---|
| SMILES | CC#CC(C1=CC=CC=C1)(C(=O)OC2CCCN(C2)C)O |
| InChIKey | VJUIYPDYTKCPSJ-UHFFFAOYSA-N |
Product Overview
1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate (CAS 92956-04-2), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate.
Chemical Property Profile of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate
Property Insights of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate has 1 hydrogen bond donor(s) and 4 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-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate?
The CAS number of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate is 92956-04-2.
What is the molecular formula of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate?
The molecular formula of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate is C17H21NO3.
What is the molecular weight of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate?
The molecular weight of 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate is 287.15 g/mol.
Where can I buy 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate?
You can request a quote for 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.