Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
TL;DR: Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone (CAS 63991-67-3) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-phenylmethanone
Also Known As: 1-Benzoyl-4-benzylpiperazine, piperazine, a18, Piperazine, 1-benzoyl-4-benzyl-, N-Benzyl N'-benzoylpiperazine, 1-Benzoyl-4-benzylpiperazine #
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 63991-67-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | VFSAEAGKVBCUNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone (CAS 63991-67-3), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-phenylmethanone.
Chemical Property Profile of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
Property Insights of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone. With a topological polar surface area (TPSA) of 23.6 Ų, Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone 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 Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone?
The CAS number of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone is 63991-67-3.
What is the molecular formula of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone?
The molecular formula of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone is C18H20N2O.
What is the molecular weight of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone?
The molecular weight of Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone is 280.16 g/mol.
Where can I buy Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone?
You can request a quote for Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.