TL;DR: N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline (CAS 130819-96-4) is a chemical compound with molecular formula C19H23ClN2 and molecular weight 314.15497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
Also Known As: N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline, N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline, AE-641/30110028
| Molecular Formula | C19H23ClN2 |
| Molecular Weight | 314.15497 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.15497 Da |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
| SMILES | C1CN(CCC1(CNC2=CC=CC=C2)Cl)CC3=CC=CC=C3 |
| InChIKey | JCHPURCMHDZKSA-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline is 130819-96-4.
The molecular formula of N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline is C19H23ClN2.
The molecular weight of N-[(1-benzyl-4-chloro-4-piperidinyl)methyl]aniline is 314.15497 g/mol.
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