3-(4-Methylpiperidin-1-yl)propyl benzoate
TL;DR: 3-(4-Methylpiperidin-1-yl)propyl benzoate (CAS 78219-44-0) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperidin-1-yl)propyl benzoate
Also Known As: 3-(4-methylpiperidin-1-yl)propyl benzoate, gamma-4-Methylpiperidinopropyl benzoate hydrochloride, 1-Piperidinepropanol, 4-methyl-, benzoate, hydrochloride, Benzoic acid, 3-(4-methylpiperidino)propyl ester, hydrochloride, 1-Piperidinepropanol, 4-methyl-, benzoate (ester), hydrochloride
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 78219-44-0 |
|---|---|
| SMILES | CC1CCN(CC1)CCCOC(=O)C2=CC=CC=C2 |
| InChIKey | QBFBLKZXJRVUFZ-UHFFFAOYSA-N |
Product Overview
3-(4-Methylpiperidin-1-yl)propyl benzoate (CAS 78219-44-0), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 3-(4-methylpiperidin-1-yl)propyl benzoate.
Chemical Property Profile of 3-(4-Methylpiperidin-1-yl)propyl benzoate
Property Insights of 3-(4-Methylpiperidin-1-yl)propyl benzoate
The XLogP value of 3.5 indicates that 3-(4-Methylpiperidin-1-yl)propyl 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-(4-Methylpiperidin-1-yl)propyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylpiperidin-1-yl)propyl 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 3-(4-Methylpiperidin-1-yl)propyl benzoate?
The CAS number of 3-(4-Methylpiperidin-1-yl)propyl benzoate is 78219-44-0.
What is the molecular formula of 3-(4-Methylpiperidin-1-yl)propyl benzoate?
The molecular formula of 3-(4-Methylpiperidin-1-yl)propyl benzoate is C16H23NO2.
What is the molecular weight of 3-(4-Methylpiperidin-1-yl)propyl benzoate?
The molecular weight of 3-(4-Methylpiperidin-1-yl)propyl benzoate is 261.17 g/mol.
Where can I buy 3-(4-Methylpiperidin-1-yl)propyl benzoate?
You can request a quote for 3-(4-Methylpiperidin-1-yl)propyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylpiperidin-1-yl)propyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylpiperidin-1-yl)propyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.