3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine

C62H82Cl3IN4O7 — CID 159153851

About 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine

3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 159153851) has the molecular formula C62H82Cl3IN4O7 and a molecular weight of 1228.62 g/mol. Its IUPAC name is 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine
• PubChem CID: 159153851
• Molecular Formula: C62H82Cl3IN4O7
• Molecular Weight: 1228.62 g/mol
• Exact Mass: 1226.43
• IUPAC Name: 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine
• SMILES: CC1(C)CC(CC(=O)c2ccc(O)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3ccccc3)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(N)CC(C)(C)N1.Ic1ccccc1.O=C(O)c1ccc(O)c(Cl)c1
• InChI: InChI=1S/C23H28ClNO2.C17H24ClNO2.C9H20N2.C7H5ClO3.C6H5I/c1-22(2)14-16(15-23(3,4)25-22)12-20(26)17-10-11-21(19(24)13-17)27-18-8-6-5-7-9-18;1-16(2)9-11(10-17(3,4)19-16)7-15(21)12-5-6-14(20)13(18)8-12;1-8(2)5-7(10)6-9(3,4)11-8;8-5-3-4(7(10)11)1-2-6(5)9;7-6-4-2-1-3-5-6/h5-11,13,16,25H,12,14-15H2,1-4H3;5-6,8,11,19-20H,7,9-10H2,1-4H3;7,11H,5-6,10H2,1-4H3;1-3,9H,(H,10,11);1-5H
• InChIKey: KJQIFXWIJAEHND-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 183.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1228.62
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine?

The IUPAC name of 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine (CID 159153851) is 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine.

What is the SMILES notation for 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine?

The canonical SMILES for 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(CC(=O)c2ccc(O)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3ccccc3)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(N)CC(C)(C)N1.Ic1ccccc1.O=C(O)c1ccc(O)c(Cl)c1.

What is the InChIKey of 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine?

The InChIKey is KJQIFXWIJAEHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2.C17H24ClNO2.C9H20N2.C7H5ClO3.C6H5I/c1-22(2)14-16(15-23(3,4)25-22)12-20(26)17-10-11-21(19(24)13-17)27-18-8-6-5-7-9-18;1-16(2)9-11(10-17(3,4)19-16)7-15(21)12-5-6-14(20)13(18)8-12;1-8(2)5-7(10)6-9(3,4)11-8;8-5-3-4(7(10)11)1-2-6(5)9;7-6-4-2-1-3-5-6/h5-11,13,16,25H,12,14-15H2,1-4H3;5-6,8,11,19-20H,7,9-10H2,1-4H3;7,11H,5-6,10H2,1-4H3;1-3,9H,(H,10,11);1-5H.

What are the key properties of 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine?

3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 1228.62 g/mol, XLogP of 15.73, 9 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 159153851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).