TL;DR: 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride (CAS 113873-32-8) is a chemical compound with molecular formula C28H49Cl2N3O3 and molecular weight 545.3151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-di(piperidin-1-yl)propan-2-yl N-(2-octoxyphenyl)carbamate;dihydrochloride
Also Known As: 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride, (2-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester 2HCl, Carbamic acid, (2-(octyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride, 1,3-di(piperidin-1-yl)propan-2-yl N-(2-octoxyphenyl)carbamate dihydrochloride, 1,3-Di(piperidin-1-yl)propan-2-yl hydrogen [2-(octyloxy)phenyl]carbonimidate--hydrogen chloride (1/2)
| Molecular Formula | C28H49Cl2N3O3 |
| Molecular Weight | 545.3151 g/mol |
| XLogP | 7.1584 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 545.3151 Da |
| Heavy Atoms | 36 |
| Complexity | 515.0 |
| SMILES | CCCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3.Cl.Cl |
| InChIKey | IXMBJNZMDMUFDY-UHFFFAOYSA-N |
The XLogP value of 7.1584 indicates that 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride is 113873-32-8.
The molecular formula of 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride is C28H49Cl2N3O3.
The molecular weight of 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride is 545.3151 g/mol.
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