TL;DR: Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- (CAS 172800-00-9) is a chemical compound with molecular formula C23H37ClN2O3 and molecular weight 424.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2S)-2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-propoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans-, [(1R,2R)-2-(1-piperidylmethyl)cycloheptyl] N-(2-propoxyphenyl)carbamate Hydrochloride, [(1R,2S)-2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-propoxyphenyl)carbamate hydrochloride, (1R,2S)-2-[(Piperidin-1-yl)methyl]cycloheptyl (2-propoxyphenyl)carbamate--hydrogen chloride (1/1)
| Molecular Formula | C23H37ClN2O3 |
| Molecular Weight | 424.24927 g/mol |
| XLogP | 5.8805 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.24927 Da |
| Heavy Atoms | 29 |
| Complexity | 453.0 |
| SMILES | CCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCCC[C@H]2CN3CCCCC3.Cl |
| InChIKey | GXGFMBJLZVGDDL-LZAGWAHOSA-N |
The XLogP value of 5.8805 indicates that Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- is 172800-00-9.
The molecular formula of Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- is C23H37ClN2O3.
The molecular weight of Carbamic acid, (2-propoxyphenyl)-, 2-(1-piperidinylmethyl)cycloheptyl ester, monohydrochloride, trans- is 424.24927 g/mol.
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