4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester
TL;DR: 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester (CAS 675602-56-9) is a chemical compound with molecular formula C18H27N3O2 and molecular weight 317.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Also Known As: 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester, Benzyl 4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate, PHENYL-(2,4,6-TRIMETHYL-PHENYL)-AMINE, X-3037, Benzyl4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
| Molecular Formula | C18H27N3O2 |
|---|---|
| Molecular Weight | 317.21 g/mol |
| LogP | 2.035 |
| Topological Polar Surface Area | 36.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.21033 |
| Heavy Atoms | 23 |
| Complexity | 502.248 |
Chemical Identifiers
| CAS Number | 675602-56-9 |
|---|---|
| SMILES | CN1CCN(C(C1)CN2CCCC2)C(=O)OCC3=CC=CC=C3 |
Product Overview
4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester (CAS 675602-56-9), with molecular formula C18H27N3O2 and molecular weight 317.21 g/mol. IUPAC: benzyl 4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate.
Chemical Property Profile of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester
Property Insights of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester
The XLogP value of 2.035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester. With a topological polar surface area (TPSA) of 36.02 Ų, 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester has 0 hydrogen bond donor(s) and 4 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 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester?
The CAS number of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester is 675602-56-9.
What is the molecular formula of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester?
The molecular formula of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester is C18H27N3O2.
What is the molecular weight of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester?
The molecular weight of 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester is 317.21 g/mol.
Where can I buy 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester?
You can request a quote for 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.