1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester
TL;DR: 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester (CAS 63867-70-9) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-nitrophenyl) piperidine-1-carboxylate
Also Known As: 1-Piperidinecarboxylicacid ester, 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester, (3,5-dimethyl-4-nitrophenyl) piperidine-1-carboxylate, Carbamic acid, N,N-pentamethylene-, 3,5-dimethyl-4-nitrophenyl ester, 1-Piperidinecarboxylic acid (4-nitro-3,5-xylyl) ester
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 3.19634 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 512.9706 |
Chemical Identifiers
| CAS Number | 63867-70-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)OC(=O)N2CCCCC2 |
Product Overview
1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester (CAS 63867-70-9), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: (3,5-dimethyl-4-nitrophenyl) piperidine-1-carboxylate.
Chemical Property Profile of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester
Property Insights of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester
The XLogP value of 3.19634 indicates that 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester. Following Lipinski's Rule of Five, 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester 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 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester?
The CAS number of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester is 63867-70-9.
What is the molecular formula of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester?
The molecular formula of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester is C14H18N2O4.
What is the molecular weight of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester?
The molecular weight of 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester is 278.13 g/mol.
Where can I buy 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester?
You can request a quote for 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarboxylic acid, 4-nitro-3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.