Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)
TL;DR: Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) (CAS 20902-77-6) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(3-phenyl-1H-inden-2-yl)piperidine
Also Known As: 2-(1-Methylpiperidyl)-3-phenylindene fumarate, 1-Methyl-4-(3-phenylinden-2-yl)piperidine fumarate, Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-(3-phenyl-1H-inden-2-yl)piperidine, RefChem:1096206
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 4.0982 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 938.1237 |
Chemical Identifiers
| CAS Number | 20902-77-6 |
|---|---|
| SMILES | CN1CCC(CC1)C2=C(C3=CC=CC=C3C2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) (CAS 20902-77-6), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-phenyl-1H-inden-2-yl)piperidine.
Chemical Property Profile of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)
Property Insights of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)
The XLogP value of 4.0982 indicates that Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1). Following Lipinski's Rule of Five, Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) has 2 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 Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)?
The CAS number of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) is 20902-77-6.
What is the molecular formula of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)?
The molecular formula of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) is C25H27NO4.
What is the molecular weight of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)?
The molecular weight of Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) is 405.19 g/mol.
Where can I buy Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)?
You can request a quote for Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-methyl-4-(3-phenylinden-2-yl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.