3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate (CAS 63916-89-2) is a chemical compound with molecular formula C16H22INO2 and molecular weight 387.06952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-iodobenzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-iodobenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-iodobenzoate, 1-Piperidinepropanol,2-hexyl-,1-benzoate, 3-(2-Methylpiperidino)propyl=p-iodobenzoate, BENZOIC ACID, p-IODO-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER
Technical Specifications
| Molecular Formula | C16H22INO2 |
| Molecular Weight | 387.06952 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.06952 Da |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)I |
| InChIKey | BLAAWVPMHICNCQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate
The XLogP value of 4.1 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate 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-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate 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
What is the CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate is 63916-89-2.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate is C16H22INO2.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate is 387.06952 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate 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-iodobenzoate?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.