methanone structure](/static/products/3545/354535-79-8.webp)
[4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone
TL;DR: [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone (CAS 354535-79-8) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
Also Known As: BAS 01041977, 1-isonicotinoyl-4-(4-methylbenzyl)piperazine, [4-(4-methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone, [4-[(4-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone, 4-[(4-methylphenyl)methyl]piperazinyl 4-pyridyl ketone
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 354535-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3 |
| InChIKey | AYSGMRHNDVCLPJ-UHFFFAOYSA-N |
Product Overview
[4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone (CAS 354535-79-8), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone
Property Insights of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone. With a topological polar surface area (TPSA) of 36.4 Ų, [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone has 0 hydrogen bond donor(s) and 3 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-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone?
The CAS number of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone is 354535-79-8.
What is the molecular formula of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone?
The molecular formula of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone is C18H21N3O.
What is the molecular weight of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone?
The molecular weight of [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone is 295.17 g/mol.
Where can I buy [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone?
You can request a quote for [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Methylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.