4-(Phenylmethyl)-1-piperazinecarboximidamide
TL;DR: 4-(Phenylmethyl)-1-piperazinecarboximidamide (CAS 53502-40-2) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpiperazine-1-carboximidamide
Also Known As: 4-benzylpiperazine-1-carboximidamide, 4-Benzyl-1-piperazinecarboxamidine, 4-Benzylpiperazine-1-carboxamidine, 4-benzylpiperazinecarboxamidine, 1-Piperazinecarboxamidine, 4-benzyl-
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 53502-40-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=N)N |
| InChIKey | GQXJKWWOHZLFEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylmethyl)-1-piperazinecarboximidamide (CAS 53502-40-2), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: 4-benzylpiperazine-1-carboximidamide.
Chemical Property Profile of 4-(Phenylmethyl)-1-piperazinecarboximidamide
Property Insights of 4-(Phenylmethyl)-1-piperazinecarboximidamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylmethyl)-1-piperazinecarboximidamide. With a topological polar surface area (TPSA) of 56.4 Ų, 4-(Phenylmethyl)-1-piperazinecarboximidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylmethyl)-1-piperazinecarboximidamide has 2 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-(Phenylmethyl)-1-piperazinecarboximidamide?
The CAS number of 4-(Phenylmethyl)-1-piperazinecarboximidamide is 53502-40-2.
What is the molecular formula of 4-(Phenylmethyl)-1-piperazinecarboximidamide?
The molecular formula of 4-(Phenylmethyl)-1-piperazinecarboximidamide is C12H18N4.
What is the molecular weight of 4-(Phenylmethyl)-1-piperazinecarboximidamide?
The molecular weight of 4-(Phenylmethyl)-1-piperazinecarboximidamide is 218.15 g/mol.
Where can I buy 4-(Phenylmethyl)-1-piperazinecarboximidamide?
You can request a quote for 4-(Phenylmethyl)-1-piperazinecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylmethyl)-1-piperazinecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylmethyl)-1-piperazinecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.