Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester
TL;DR: Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester (CAS 400063-52-7) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3,3-trimethyl-4-phenylpiperidin-4-yl) acetate
Also Known As: ChemDiv1_026048, BAS 01100289, 1,3,3-trimethyl-4-phenylpiperidin-4-yl acetate, 1,3,3-trimethyl-4-phenyl-4-piperidyl acetate, AB00638226-07
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 400063-52-7 |
|---|---|
| SMILES | CC(=O)OC1(CCN(CC1(C)C)C)C2=CC=CC=C2 |
| InChIKey | PKHXKOWXJNZTIG-UHFFFAOYSA-N |
Product Overview
Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester (CAS 400063-52-7), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: (1,3,3-trimethyl-4-phenylpiperidin-4-yl) acetate.
Chemical Property Profile of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester
Property Insights of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester. With a topological polar surface area (TPSA) of 29.5 Ų, Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester 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 Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester?
The CAS number of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester is 400063-52-7.
What is the molecular formula of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester?
The molecular formula of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester is C16H23NO2.
What is the molecular weight of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester?
The molecular weight of Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester is 261.17 g/mol.
Where can I buy Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester?
You can request a quote for Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 1,3,3-trimethyl-4-phenyl-piperidin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.