TL;DR: 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride (CAS 93477-42-0) is a chemical compound with molecular formula C17H24ClNO and molecular weight 293.15463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Also Known As: N-663, 3,4-Dihydro-7-methyl-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochloride, 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-METHYL-2-(PIPERIDINOMETHYL)-, HYDROCHLORIDE, 7-methyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
| Molecular Formula | C17H24ClNO |
| Molecular Weight | 293.15463 g/mol |
| XLogP | -1.19 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.15463 Da |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
| SMILES | CC1=CC2=C(CCC(C2=O)C[NH+]3CCCCC3)C=C1.[Cl-] |
| InChIKey | KFDXEHXTMFVHMR-UHFFFAOYSA-N |
The XLogP value of -1.19 indicates that 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride 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 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride is 93477-42-0.
The molecular formula of 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride is C17H24ClNO.
The molecular weight of 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-2-(piperidinomethyl)-, hydrochloride is 293.15463 g/mol.
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