1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate
TL;DR: 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate (CAS 339586-96-8) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butyl-3-methyl-4-phenylpiperidin-4-yl) acetate
Also Known As: ChemDiv1_024764, 1-tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate, (1-tert-butyl-3-methyl-4-phenylpiperidin-4-yl) acetate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 3.5853 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 491.68982 |
Chemical Identifiers
| CAS Number | 339586-96-8 |
|---|---|
| SMILES | CC1CN(CCC1(C2=CC=CC=C2)OC(=O)C)C(C)(C)C |
Product Overview
1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate (CAS 339586-96-8), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: (1-tert-butyl-3-methyl-4-phenylpiperidin-4-yl) acetate.
Chemical Property Profile of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate
Property Insights of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate
The XLogP value of 3.5853 indicates that 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate 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-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate?
The CAS number of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate is 339586-96-8.
What is the molecular formula of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate?
The molecular formula of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate is C18H27NO2.
What is the molecular weight of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate?
The molecular weight of 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate is 289.20 g/mol.
Where can I buy 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate?
You can request a quote for 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-methyl-4-phenyl-4-piperidinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.