TL;DR: jnj 10181457 dihydrochloride (CAS 1188547-18-3) is a chemical compound with molecular formula C20H28N2O and molecular weight 312.22015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
Also Known As: jnj 10181457 dihydrochloride, 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine, JNJ 10181457, JNJ-10181457 (hydrochloride), JNJ-10181457 dihydrochloride
| Molecular Formula | C20H28N2O |
| Molecular Weight | 312.22015 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.22015 Da |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
| SMILES | C1CCN(CC1)CCC#CC2=CC=CC(=C2)CN3CCOCC3 |
| InChIKey | HDRIBIYPLKZUDQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for jnj 10181457 dihydrochloride. With a topological polar surface area (TPSA) of 15.7 Ų, jnj 10181457 dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, jnj 10181457 dihydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of jnj 10181457 dihydrochloride is 1188547-18-3.
The molecular formula of jnj 10181457 dihydrochloride is C20H28N2O.
The molecular weight of jnj 10181457 dihydrochloride is 312.22015 g/mol.
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