4-Benzylpiperazine-1-carbaldehyde
TL;DR: 4-Benzylpiperazine-1-carbaldehyde (CAS 81045-39-8) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpiperazine-1-carbaldehyde
Also Known As: 4-benzylpiperazine-1-carbaldehyde, 1-benzyl-4-formyl-piperazine, 4-Benzyl-1-piperazinecarbaldehyde, J3.468.132E, RefChem:290359
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 81045-39-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C=O |
| InChIKey | UPRPMAXKKSSVTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylpiperazine-1-carbaldehyde (CAS 81045-39-8), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 4-benzylpiperazine-1-carbaldehyde.
Chemical Property Profile of 4-Benzylpiperazine-1-carbaldehyde
Property Insights of 4-Benzylpiperazine-1-carbaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylpiperazine-1-carbaldehyde. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Benzylpiperazine-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylpiperazine-1-carbaldehyde 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-Benzylpiperazine-1-carbaldehyde?
The CAS number of 4-Benzylpiperazine-1-carbaldehyde is 81045-39-8.
What is the molecular formula of 4-Benzylpiperazine-1-carbaldehyde?
The molecular formula of 4-Benzylpiperazine-1-carbaldehyde is C12H16N2O.
What is the molecular weight of 4-Benzylpiperazine-1-carbaldehyde?
The molecular weight of 4-Benzylpiperazine-1-carbaldehyde is 204.13 g/mol.
Where can I buy 4-Benzylpiperazine-1-carbaldehyde?
You can request a quote for 4-Benzylpiperazine-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylpiperazine-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylpiperazine-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.