3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate (CAS 63916-91-6) is a chemical compound with molecular formula C21H33NO2 and molecular weight 331.25113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-isopentylbenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate, 1-Piperidinepropanol,2-hexyl-,1-benzoate, 3-(2-Methylpiperidino)propyl=p-isopentylbenzoate, BENZOIC ACID, p-ISOPENTYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER
Technical Specifications
| Molecular Formula | C21H33NO2 |
| Molecular Weight | 331.25113 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.25113 Da |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)CCC(C)C |
| InChIKey | SVWGJWSFYJTBFL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
The XLogP value of 5.6 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)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, 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate is 63916-91-6.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate is C21H33NO2.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate is 331.25113 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate 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-(3-methylbutyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.