4-(2-Methylbenzyl)-1-piperazinecarbaldehyde
TL;DR: 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde (CAS 199671-44-8) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylphenyl)methyl]piperazine-1-carbaldehyde
Also Known As: 4-[(2-methylphenyl)methyl]piperazine-1-carbaldehyde, 4-(2-methylbenzyl)-1-piperazinecarbaldehyde, 4-(2-Methylbenzyl)piperazine-1-carbaldehyde
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.26902 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 356.70517 |
Chemical Identifiers
| CAS Number | 199671-44-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCN(CC2)C=O |
Product Overview
4-(2-Methylbenzyl)-1-piperazinecarbaldehyde (CAS 199671-44-8), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 4-[(2-methylphenyl)methyl]piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde
Property Insights of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde
The XLogP value of 1.26902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde. With a topological polar surface area (TPSA) of 23.55 Ų, 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde has 0 hydrogen bond donor(s) and 2 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-(2-Methylbenzyl)-1-piperazinecarbaldehyde?
The CAS number of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde is 199671-44-8.
What is the molecular formula of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde?
The molecular formula of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde is C13H18N2O.
What is the molecular weight of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde?
The molecular weight of 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde is 218.14 g/mol.
Where can I buy 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde?
You can request a quote for 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylbenzyl)-1-piperazinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.