alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride
TL;DR: alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride (CAS 51734-41-9) is a chemical compound with molecular formula C23H40Cl2N2O2 and molecular weight 446.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[bis(2-methylpropyl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate;dihydrochloride
Also Known As: alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride, 1-Piperidineethanol, alpha-((bis(2-methylpropyl)amino)methyl)-, benzoate (ester), dihydrochloride, [1-[bis(2-methylpropyl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate dihydrochloride, 1-[Bis(2-methylpropyl)amino]-3-(piperidin-1-yl)propan-2-yl benzoate--hydrogen chloride (1/2), RefChem:234391
| Molecular Formula | C23H40Cl2N2O2 |
|---|---|
| Molecular Weight | 446.25 g/mol |
| LogP | 5.1555 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.24667 |
| Heavy Atoms | 29 |
| Complexity | 539.0686 |
Chemical Identifiers
| CAS Number | 51734-41-9 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CC(CN1CCCCC1)OC(=O)C2=CC=CC=C2.Cl.Cl |
Product Overview
alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride (CAS 51734-41-9), with molecular formula C23H40Cl2N2O2 and molecular weight 446.25 g/mol. IUPAC: [1-[bis(2-methylpropyl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate;dihydrochloride.
Chemical Property Profile of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride
Property Insights of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride
The XLogP value of 5.1555 indicates that alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride?
The CAS number of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride is 51734-41-9.
What is the molecular formula of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride?
The molecular formula of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride is C23H40Cl2N2O2.
What is the molecular weight of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride?
The molecular weight of alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride is 446.25 g/mol.
Where can I buy alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride?
You can request a quote for alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Bis(isobutylamino)methyl)-1-piperidineethanol benzoate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.