3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate (CAS 63916-68-7) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-butoxybenzoate
Also Known As: 3-(2-methylpiperidin-1-yl)propyl 4-butoxybenzoate, 3-(2'-Methylpiperidino)propyl p-butoxybenzoate, 4-20-00-01465 (Beilstein Handbook Reference), 3-(2'-Methylpiperidino)propyl p-bromobenzoate, 3-(2-Methylpiperidino)propyl=p-butoxybenzoate
Technical Specifications
| Molecular Formula | C20H31NO3 |
| Molecular Weight | 333.2304 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 333.2304 Da |
| Heavy Atoms | 24 |
| Complexity | 353.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C |
| InChIKey | PGDPFMRYKOURHD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate
The XLogP value of 4.7 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate 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
What is the CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate is 63916-68-7.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate is C20H31NO3.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate is 333.2304 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.