TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate (CAS 63917-81-7) is a chemical compound with molecular formula C23H29NO3 and molecular weight 367.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-phenylmethoxybenzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-benzyloxybenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate, 3-(2-Methylpiperidino)propyl=p-benzyloxybenzoate, 3-(2-Methylpiperidin-1-yl)propyl 4-(phenylmethoxy)benzoate, BENZOIC ACID, p-BENZYLOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER
| Molecular Formula | C23H29NO3 |
| Molecular Weight | 367.21475 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.21475 Da |
| Heavy Atoms | 27 |
| Complexity | 427.0 |
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | OJVCBDIBYRGSGF-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate is 63917-81-7.
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate is C23H29NO3.
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-(benzyloxy)benzoate is 367.21475 g/mol.
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