4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate
TL;DR: 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate (CAS 885953-08-2) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 4-O-tert-butyl 3-methylpiperidine-1,4-dicarboxylate
Also Known As: Benzyl Tert-butyl 3-methylpiperidine-1,4-dicarboxylate, 3-Methyl-piperidine-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester, 1-O-benzyl 4-O-tert-butyl 3-methylpiperidine-1,4-dicarboxylate, 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 3.6229 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 564.47955 |
Chemical Identifiers
| CAS Number | 885953-08-2 |
|---|---|
| SMILES | CC1CN(CCC1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2 |
Product Overview
4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate (CAS 885953-08-2), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: 1-O-benzyl 4-O-tert-butyl 3-methylpiperidine-1,4-dicarboxylate.
Chemical Property Profile of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate
Property Insights of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate
The XLogP value of 3.6229 indicates that 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate has 0 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 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate?
The CAS number of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate is 885953-08-2.
What is the molecular formula of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate?
The molecular formula of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate is C19H27NO4.
What is the molecular weight of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate?
The molecular weight of 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate is 333.19 g/mol.
Where can I buy 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate?
You can request a quote for 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-methyl-1,4-piperidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.