1-methyl-4-phenyl-4-piperidinol propionate N-oxide
TL;DR: 1-methyl-4-phenyl-4-piperidinol propionate N-oxide (CAS 13147-08-5) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate
Also Known As: Mppop, 1-Methyl-4-phenyl-4-piperidinol propionate N-oxide, N-Methyl-4-phenyl-4-propionoxypiperidine N-oxide, (1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate, 1-Methyl-4-phenyl-4-piperidinol propionate (ester) 1-oxide
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 13147-08-5 |
|---|---|
| SMILES | CCC(=O)OC1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2 |
| InChIKey | VGQRTLUSTBGWLP-UHFFFAOYSA-N |
Product Overview
1-methyl-4-phenyl-4-piperidinol propionate N-oxide (CAS 13147-08-5), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: (1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate.
Chemical Property Profile of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide
Property Insights of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-phenyl-4-piperidinol propionate N-oxide. With a topological polar surface area (TPSA) of 44.4 Ų, 1-methyl-4-phenyl-4-piperidinol propionate N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-4-phenyl-4-piperidinol propionate N-oxide has 0 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 1-methyl-4-phenyl-4-piperidinol propionate N-oxide?
The CAS number of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide is 13147-08-5.
What is the molecular formula of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide?
The molecular formula of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide is C15H21NO3.
What is the molecular weight of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide?
The molecular weight of 1-methyl-4-phenyl-4-piperidinol propionate N-oxide is 263.15 g/mol.
Where can I buy 1-methyl-4-phenyl-4-piperidinol propionate N-oxide?
You can request a quote for 1-methyl-4-phenyl-4-piperidinol propionate N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-phenyl-4-piperidinol propionate N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-phenyl-4-piperidinol propionate N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.