7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide

C103H150BrCl2IN14O2S3 — CID 159508708

About 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide

7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide (PubChem CID 159508708) has the molecular formula C103H150BrCl2IN14O2S3 and a molecular weight of 1990.34 g/mol. Its IUPAC name is 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide.

Molecular Properties

• Compound Name: 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide
• PubChem CID: 159508708
• Molecular Formula: C103H150BrCl2IN14O2S3
• Molecular Weight: 1990.34 g/mol
• Exact Mass: 1986.88
• IUPAC Name: 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide
• SMILES: C.CN1CCC(=O)CC1.CN1CCC(N2CCCCc3cc(Br)ccc32)CC1.CN1CCC(N2CCCCc3cc(N)ccc32)CC1.CN1CCC(N2CCCCc3ccccc32)CC1.Cl.Cl.I.O=C1CCCc2ccccc2N1.[H]/N=C(/Cc1ccc2c(c1)CCCCN2C1CCN(C)CC1)c1cccs1.[H]/N=C(\SC)c1cccs1.c1ccc2c(c1)CCCCN2
• InChI: InChI=1S/C22H29N3S.C16H23BrN2.C16H25N3.C16H24N2.C10H11NO.C10H13N.C6H11NO.C6H7NS2.CH4.2ClH.HI/c1-24-12-9-19(10-13-24)25-11-3-2-5-18-15-17(7-8-21(18)25)16-20(23)22-6-4-14-26-22;2*1-18-10-7-15(8-11-18)19-9-3-2-4-13-12-14(17)5-6-16(13)19;1-17-12-9-15(10-13-17)18-11-5-4-7-14-6-2-3-8-16(14)18;12-10-7-3-5-8-4-1-2-6-9(8)11-10;1-2-7-10-9(5-1)6-3-4-8-11-10;1-7-4-2-6(8)3-5-7;1-8-6(7)5-3-2-4-9-5;;;;/h4,6-8,14-15,19,23H,2-3,5,9-13,16H2,1H3;5-6,12,15H,2-4,7-11H2,1H3;5-6,12,15H,2-4,7-11,17H2,1H3;2-3,6,8,15H,4-5,7,9-13H2,1H3;1-2,4,6H,3,5,7H2,(H,11,12);1-2,5,7,11H,3-4,6,8H2;2-5H2,1H3;2-4,7H,1H3;1H4;3*1H/b23-20-;;;;;;;7-6-
• InChIKey: AAARXLXBQHEZKH-GODRNZOGSA-N
• XLogP: 22.92
• TPSA: 161.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.34
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide?

The IUPAC name of 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide (CID 159508708) is 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide.

What is the SMILES notation for 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide?

The canonical SMILES for 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide is C.CN1CCC(=O)CC1.CN1CCC(N2CCCCc3cc(Br)ccc32)CC1.CN1CCC(N2CCCCc3cc(N)ccc32)CC1.CN1CCC(N2CCCCc3ccccc32)CC1.Cl.Cl.I.O=C1CCCc2ccccc2N1.[H]/N=C(/Cc1ccc2c(c1)CCCCN2C1CCN(C)CC1)c1cccs1.[H]/N=C(\SC)c1cccs1.c1ccc2c(c1)CCCCN2.

What is the InChIKey of 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide?

The InChIKey is AAARXLXBQHEZKH-GODRNZOGSA-N. The full InChI is InChI=1S/C22H29N3S.C16H23BrN2.C16H25N3.C16H24N2.C10H11NO.C10H13N.C6H11NO.C6H7NS2.CH4.2ClH.HI/c1-24-12-9-19(10-13-24)25-11-3-2-5-18-15-17(7-8-21(18)25)16-20(23)22-6-4-14-26-22;2*1-18-10-7-15(8-11-18)19-9-3-2-4-13-12-14(17)5-6-16(13)19;1-17-12-9-15(10-13-17)18-11-5-4-7-14-6-2-3-8-16(14)18;12-10-7-3-5-8-4-1-2-6-9(8)11-10;1-2-7-10-9(5-1)6-3-4-8-11-10;1-7-4-2-6(8)3-5-7;1-8-6(7)5-3-2-4-9-5;;;;/h4,6-8,14-15,19,23H,2-3,5,9-13,16H2,1H3;5-6,12,15H,2-4,7-11H2,1H3;5-6,12,15H,2-4,7-11,17H2,1H3;2-3,6,8,15H,4-5,7,9-13H2,1H3;1-2,4,6H,3,5,7H2,(H,11,12);1-2,5,7,11H,3-4,6,8H2;2-5H2,1H3;2-4,7H,1H3;1H4;3*1H/b23-20-;;;;;;;7-6-;;;;.

What are the key properties of 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide?

7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide has a molecular weight of 1990.34 g/mol, XLogP of 22.92, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;methane;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-amine;1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;2-[1-(1-methylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-1-thiophen-2-ylethanimine;methyl thiophene-2-carboximidothioate;2,3,4,5-tetrahydro-1H-1-benzazepine;1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride;hydroiodide is sourced from PubChem (CID 159508708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).