TL;DR: Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride (CAS 113904-25-9) is a chemical compound with molecular formula C24H41Cl2N3O3 and molecular weight 489.2525 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-(3-butoxyphenyl)carbamate;dihydrochloride
Also Known As: Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride, 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (3-butoxyphenyl)carbamate dihydrochloride, (3-Butoxyphenyl)carbamic acid 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester HCl, (3-BUTOXY-PH)-CARBAMIC ACID 2-PIPERIDIN-1-YL-1-PIPERIDIN-1-YL-ME-ET ESTER, HCL, 1,3-Di(piperidin-1-yl)propan-2-yl (3-butoxyphenyl)carbamate--hydrogen chloride (1/2)
| Molecular Formula | C24H41Cl2N3O3 |
| Molecular Weight | 489.2525 g/mol |
| XLogP | 5.598 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 489.2525 Da |
| Heavy Atoms | 32 |
| Complexity | 458.0 |
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCC2)CN3CCCCC3.Cl.Cl |
| InChIKey | IMZWSXHZILUZCN-UHFFFAOYSA-N |
The XLogP value of 5.598 indicates that Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, 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, Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is 113904-25-9.
The molecular formula of Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is C24H41Cl2N3O3.
The molecular weight of Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is 489.2525 g/mol.
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