1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane

C85H102F4N8O4 — CID 157218923

About 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane

1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane (PubChem CID 157218923) has the molecular formula C85H102F4N8O4 and a molecular weight of 1375.79 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane.

Molecular Properties

• Compound Name: 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane
• PubChem CID: 157218923
• Molecular Formula: C85H102F4N8O4
• Molecular Weight: 1375.79 g/mol
• Exact Mass: 1374.80
• IUPAC Name: 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane
• SMILES: C.O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.OC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.OC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.O[C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21
• InChI: InChI=1S/3C21H25FN2O.C21H23FN2O.CH4/c4*22-17-7-5-16(6-8-17)15-24-13-11-21(12-14-24)10-9-20(25)18-3-1-2-4-19(18)23-21;/h3*1-8,20,23,25H,9-15H2;1-8,23H,9-15H2;1H4/t20-;;;;/m0..../s1
• InChIKey: ASTDSDVWKRWHCN-YAVGSXOASA-N
• XLogP: 17.18
• TPSA: 138.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1375.79
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane?

The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane (CID 157218923) is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane.

What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane?

The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane is C.O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.OC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.OC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.O[C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.

What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane?

The InChIKey is ASTDSDVWKRWHCN-YAVGSXOASA-N. The full InChI is InChI=1S/3C21H25FN2O.C21H23FN2O.CH4/c4*22-17-7-5-16(6-8-17)15-24-13-11-21(12-14-24)10-9-20(25)18-3-1-2-4-19(18)23-21;/h3*1-8,20,23,25H,9-15H2;1-8,23H,9-15H2;1H4/t20-;;;;/m0..../s1.

What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane?

1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane has a molecular weight of 1375.79 g/mol, XLogP of 17.18, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane is sourced from PubChem (CID 157218923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).