![Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) structure](/static/products/262/26266-00-2.png)
Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)
TL;DR: Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) (CAS 26266-00-2) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;ethyl 4-(piperidin-2-ylmethylamino)benzoate
Also Known As: L-(-)-, A-Amino-, A-caprolactam hydrochloride, Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1), ethyl 4-[(piperidin-2-ylmethyl)amino]benzoate acetate(1:1)
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | 2.5082 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 26266-00-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2CCCCN2.CC(=O)O |
| InChIKey | LPJLLTMIKGCPKU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) (CAS 26266-00-2), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: acetic acid;ethyl 4-(piperidin-2-ylmethylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)
Property Insights of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)
The XLogP value of 2.5082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1). The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1). Following Lipinski's Rule of Five, Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) has 3 hydrogen bond donor(s) and 6 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 Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)?
The CAS number of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) is 26266-00-2.
What is the molecular formula of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)?
The molecular formula of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) is C17H26N2O4.
What is the molecular weight of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)?
The molecular weight of Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) is 322.19 g/mol.
Where can I buy Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)?
You can request a quote for Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-piperidinylmethyl)amino]benzoate acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.