1-(3-Isobutoxybenzyl)piperazine
TL;DR: 1-(3-Isobutoxybenzyl)piperazine (CAS 523981-42-2) is a chemical compound with molecular formula C15H24N2O and molecular weight 248.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(2-methylpropoxy)phenyl]methyl]piperazine
Also Known As: 1-(3-isobutoxybenzyl)piperazine, 1-[[3-(2-methylpropoxy)phenyl]methyl]piperazine, 1-{[3-(2-methylpropoxy)phenyl]methyl}piperazine, 1-[(3-isobutoxyphenyl)methyl]piperazine, 1-[3-(2-methylpropoxy)benzyl]piperazine
| Molecular Formula | C15H24N2O |
|---|---|
| Molecular Weight | 248.19 g/mol |
| LogP | 2.1266 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.18886 |
| Heavy Atoms | 18 |
| Complexity | 359.26617 |
Chemical Identifiers
| CAS Number | 523981-42-2 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)CN2CCNCC2 |
Product Overview
1-(3-Isobutoxybenzyl)piperazine (CAS 523981-42-2), with molecular formula C15H24N2O and molecular weight 248.19 g/mol. IUPAC: 1-[[3-(2-methylpropoxy)phenyl]methyl]piperazine.
Chemical Property Profile of 1-(3-Isobutoxybenzyl)piperazine
Property Insights of 1-(3-Isobutoxybenzyl)piperazine
The XLogP value of 2.1266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Isobutoxybenzyl)piperazine. With a topological polar surface area (TPSA) of 24.5 Ų, 1-(3-Isobutoxybenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Isobutoxybenzyl)piperazine has 1 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 1-(3-Isobutoxybenzyl)piperazine?
The CAS number of 1-(3-Isobutoxybenzyl)piperazine is 523981-42-2.
What is the molecular formula of 1-(3-Isobutoxybenzyl)piperazine?
The molecular formula of 1-(3-Isobutoxybenzyl)piperazine is C15H24N2O.
What is the molecular weight of 1-(3-Isobutoxybenzyl)piperazine?
The molecular weight of 1-(3-Isobutoxybenzyl)piperazine is 248.19 g/mol.
Where can I buy 1-(3-Isobutoxybenzyl)piperazine?
You can request a quote for 1-(3-Isobutoxybenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Isobutoxybenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Isobutoxybenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.