2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide

C51H65ClIN3O11 — CID 165001959

About 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide

2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide (PubChem CID 165001959) has the molecular formula C51H65ClIN3O11 and a molecular weight of 1058.45 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide
• PubChem CID: 165001959
• Molecular Formula: C51H65ClIN3O11
• Molecular Weight: 1058.45 g/mol
• Exact Mass: 1057.34
• IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide
• SMILES: CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.COc1cc(C)c([C@H]2CCN(C)CC2=O)c(OC)c1.COc1cc(C)c([C@H]2CCN(C)C[C@H]2O)c(OC)c1.I
• InChI: InChI=1S/C21H20ClNO5.C15H23NO3.C15H21NO3.HI/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;2*1-10-7-11(18-3)8-14(19-4)15(10)12-5-6-16(2)9-13(12)17;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;7-8,12-13,17H,5-6,9H2,1-4H3;7-8,12H,5-6,9H2,1-4H3;1H/t12-,17+;12-,13+;12-;/m000./s1
• InChIKey: ZZSMPRFYJVQUAB-PBHZSIAVSA-N
• XLogP: 7.72
• TPSA: 174.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.45
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide?

The IUPAC name of 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide (CID 165001959) is 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide.

What is the SMILES notation for 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide?

The canonical SMILES for 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide is CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.COc1cc(C)c([C@H]2CCN(C)CC2=O)c(OC)c1.COc1cc(C)c([C@H]2CCN(C)C[C@H]2O)c(OC)c1.I.

What is the InChIKey of 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide?

The InChIKey is ZZSMPRFYJVQUAB-PBHZSIAVSA-N. The full InChI is InChI=1S/C21H20ClNO5.C15H23NO3.C15H21NO3.HI/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;2*1-10-7-11(18-3)8-14(19-4)15(10)12-5-6-16(2)9-13(12)17;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;7-8,12-13,17H,5-6,9H2,1-4H3;7-8,12H,5-6,9H2,1-4H3;1H/t12-,17+;12-,13+;12-;/m000./s1.

What are the key properties of 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide?

2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide has a molecular weight of 1058.45 g/mol, XLogP of 7.72, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide is sourced from PubChem (CID 165001959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).