1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
TL;DR: 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS 101976-68-5) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate
Also Known As: Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, 1-methyl-3-piperidyl ester, 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate, 1-(alpha-Methylbenzyl)imidazole-5-carboxylic acid, ester with 1-methylpiperidin-3-ol, (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate, 1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid 1-methyl-3-piperidinyl ester
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 2.7434 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 653.29614 |
Chemical Identifiers
| CAS Number | 101976-68-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC3CCCN(C3)C |
Product Overview
1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS 101976-68-5), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate.
Chemical Property Profile of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
Property Insights of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
The XLogP value of 2.7434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate. With a topological polar surface area (TPSA) of 47.36 Ų, 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate 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-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate?
The CAS number of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is 101976-68-5.
What is the molecular formula of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate?
The molecular formula of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is C18H23N3O2.
What is the molecular weight of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate?
The molecular weight of 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is 313.18 g/mol.
Where can I buy 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate?
You can request a quote for 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.