4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
TL;DR: 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride (CAS 98131-84-1) is a chemical compound with molecular formula C21H28Cl2N2O and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
Also Known As: 3116 I.S., 3116 I.S, 1-(2-(Benzylamino)ethyl)-4-phenyl-4-piperidinecarboxaldehyde dihydrochloride, 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride, Isonipecotaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
| Molecular Formula | C21H28Cl2N2O |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 3.8525 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.15787 |
| Heavy Atoms | 26 |
| Complexity | 628.97406 |
Chemical Identifiers
| CAS Number | 98131-84-1 |
|---|---|
| SMILES | C1CN(CCC1(C=O)C2=CC=CC=C2)CCNCC3=CC=CC=C3.Cl.Cl |
Product Overview
4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride (CAS 98131-84-1), with molecular formula C21H28Cl2N2O and molecular weight 394.16 g/mol. IUPAC: 1-[2-(benzylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde;dihydrochloride.
Chemical Property Profile of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
Property Insights of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
The XLogP value of 3.8525 indicates that 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride has 1 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-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride?
The CAS number of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride is 98131-84-1.
What is the molecular formula of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride?
The molecular formula of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride is C21H28Cl2N2O.
What is the molecular weight of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride?
The molecular weight of 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride is 394.16 g/mol.
Where can I buy 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride?
You can request a quote for 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.