2-Piperidin-1-ylethyl 2-methylbenzoate
TL;DR: 2-Piperidin-1-ylethyl 2-methylbenzoate (CAS 90259-59-9) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 2-methylbenzoate
Also Known As: ChemDiv2_001725, 2-piperidin-1-ylethyl 2-methylbenzoate, 2-piperidinoethyl 2-methylbenzoate, 2-(1-piperidinyl)ethyl 2-methylbenzoate, BAS 05947896
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 90259-59-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCCN2CCCCC2 |
| InChIKey | RYBCJIAVNBUCAX-UHFFFAOYSA-N |
Product Overview
2-Piperidin-1-ylethyl 2-methylbenzoate (CAS 90259-59-9), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 2-piperidin-1-ylethyl 2-methylbenzoate.
Chemical Property Profile of 2-Piperidin-1-ylethyl 2-methylbenzoate
Property Insights of 2-Piperidin-1-ylethyl 2-methylbenzoate
The XLogP value of 3.6 indicates that 2-Piperidin-1-ylethyl 2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Piperidin-1-ylethyl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperidin-1-ylethyl 2-methylbenzoate 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 2-Piperidin-1-ylethyl 2-methylbenzoate?
The CAS number of 2-Piperidin-1-ylethyl 2-methylbenzoate is 90259-59-9.
What is the molecular formula of 2-Piperidin-1-ylethyl 2-methylbenzoate?
The molecular formula of 2-Piperidin-1-ylethyl 2-methylbenzoate is C15H21NO2.
What is the molecular weight of 2-Piperidin-1-ylethyl 2-methylbenzoate?
The molecular weight of 2-Piperidin-1-ylethyl 2-methylbenzoate is 247.16 g/mol.
Where can I buy 2-Piperidin-1-ylethyl 2-methylbenzoate?
You can request a quote for 2-Piperidin-1-ylethyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Piperidin-1-ylethyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Piperidin-1-ylethyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.