(4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone
TL;DR: (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone (CAS 118630-34-5) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-piperazin-1-ylmethanone
Also Known As: 1-(4-TERT-BUTYLBENZOYL)PIPERAZINE, (4-tert-butylphenyl)(piperazin-1-yl)methanone, tetra-n-pentylcalix[4]resorcinolarene, (4-tert-butylphenyl)-piperazin-1-ylmethanone, BAS 00689513
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 2.0295 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 411.1149 |
Chemical Identifiers
| CAS Number | 118630-34-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCNCC2 |
Product Overview
(4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone (CAS 118630-34-5), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: (4-tert-butylphenyl)-piperazin-1-ylmethanone.
Chemical Property Profile of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone
Property Insights of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone
The XLogP value of 2.0295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone. With a topological polar surface area (TPSA) of 32.34 Ų, (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone has 1 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-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone?
The CAS number of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone is 118630-34-5.
What is the molecular formula of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone?
The molecular formula of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone is C15H22N2O.
What is the molecular weight of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone?
The molecular weight of (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone is 246.17 g/mol.
Where can I buy (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone?
You can request a quote for (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(1,1-Dimethylethyl)phenyl)-1-piperazinylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.