4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
TL;DR: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride (CAS 3381-23-5) is a chemical compound with molecular formula C28H39Cl2N3O4 and molecular weight 551.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride
Also Known As: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride, 5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-nitrobenzoate Dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride, 4-Piperidinol, 5-[(hexahydro-1H-azepin-1-yl)methyl]-1,2,5-trimethyl-4-phenyl-, 4-nitrobenzoate (ester), dihydrochloride
| Molecular Formula | C28H39Cl2N3O4 |
|---|---|
| Molecular Weight | 551.23 g/mol |
| LogP | 6.097 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.23175 |
| Heavy Atoms | 37 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 3381-23-5 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl |
| InChIKey | SJSHNPYTVBOXJN-UHFFFAOYSA-N |
Product Overview
4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride (CAS 3381-23-5), with molecular formula C28H39Cl2N3O4 and molecular weight 551.23 g/mol. IUPAC: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride.
Chemical Property Profile of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
Property Insights of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
The XLogP value of 6.097 indicates that 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride. Following Lipinski's Rule of Five, 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride?
The CAS number of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride is 3381-23-5.
What is the molecular formula of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride?
The molecular formula of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride is C28H39Cl2N3O4.
What is the molecular weight of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride?
The molecular weight of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride is 551.23 g/mol.
Where can I buy 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride?
You can request a quote for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.