4-(2-Methylpiperidin-1-yl)butyl benzoate
TL;DR: 4-(2-Methylpiperidin-1-yl)butyl benzoate (CAS 64050-30-2) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpiperidin-1-yl)butyl benzoate
Also Known As: 4-(2-methylpiperidin-1-yl)butyl benzoate, 4-(2'-Methylpiperidino)butyl benzoate, 4-(2-methylpiperidin-1-yl)butylbenzoate, 4-(2-Methylpiperidino)butyl=benzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 64050-30-2 |
|---|---|
| SMILES | CC1CCCCN1CCCCOC(=O)C2=CC=CC=C2 |
| InChIKey | UFMAXJGHHZKXIO-UHFFFAOYSA-N |
Product Overview
4-(2-Methylpiperidin-1-yl)butyl benzoate (CAS 64050-30-2), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 4-(2-methylpiperidin-1-yl)butyl benzoate.
Chemical Property Profile of 4-(2-Methylpiperidin-1-yl)butyl benzoate
Property Insights of 4-(2-Methylpiperidin-1-yl)butyl benzoate
The XLogP value of 3.8 indicates that 4-(2-Methylpiperidin-1-yl)butyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(2-Methylpiperidin-1-yl)butyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylpiperidin-1-yl)butyl benzoate 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 4-(2-Methylpiperidin-1-yl)butyl benzoate?
The CAS number of 4-(2-Methylpiperidin-1-yl)butyl benzoate is 64050-30-2.
What is the molecular formula of 4-(2-Methylpiperidin-1-yl)butyl benzoate?
The molecular formula of 4-(2-Methylpiperidin-1-yl)butyl benzoate is C17H25NO2.
What is the molecular weight of 4-(2-Methylpiperidin-1-yl)butyl benzoate?
The molecular weight of 4-(2-Methylpiperidin-1-yl)butyl benzoate is 275.19 g/mol.
Where can I buy 4-(2-Methylpiperidin-1-yl)butyl benzoate?
You can request a quote for 4-(2-Methylpiperidin-1-yl)butyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylpiperidin-1-yl)butyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylpiperidin-1-yl)butyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.