TL;DR: 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CAS 112709-61-2) is a chemical compound with molecular formula C21H31NO and molecular weight 313.24057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Also Known As: 2-Naphthalenol, decahydro-3-(4-phenyl-1-piperidinyl)-, 3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol, 3-(4-Phenylpiperidin-1-yl)decahydronaphthalen-2-ol, 2-Naphthalenol,decahydro-3-(4-phenyl-1-piperidinyl), (+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-decalin
| Molecular Formula | C21H31NO |
| Molecular Weight | 313.24057 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.24057 Da |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
| SMILES | C1CCC2CC(C(CC2C1)N3CCC(CC3)C4=CC=CC=C4)O |
| InChIKey | KBAUXYUOKBLCFC-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol 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 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is 112709-61-2.
The molecular formula of 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is C21H31NO.
The molecular weight of 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is 313.24057 g/mol.
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