3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide

C53H79BrN4O5S2 — CID 158556123

About 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide

3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide (PubChem CID 158556123) has the molecular formula C53H79BrN4O5S2 and a molecular weight of 996.28 g/mol. Its IUPAC name is 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide.

Molecular Properties

• Compound Name: 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide
• PubChem CID: 158556123
• Molecular Formula: C53H79BrN4O5S2
• Molecular Weight: 996.28 g/mol
• Exact Mass: 994.47
• IUPAC Name: 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide
• SMILES: Br.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCNCC4)n3)ccc21.COCCCO.COCCCOC(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
• InChI: InChI=1S/C27H38N2O3S.C22H30N2S.C4H10O2.BrH/c1-26(2)11-12-27(3,4)22-17-20(7-8-21(22)26)23-18-33-24(28-23)19-9-13-29(14-10-19)25(30)32-16-6-15-31-5;1-21(2)9-10-22(3,4)18-13-16(5-6-17(18)21)19-14-25-20(24-19)15-7-11-23-12-8-15;1-6-4-2-3-5;/h7-8,17-19H,6,9-16H2,1-5H3;5-6,13-15,23H,7-12H2,1-4H3;5H,2-4H2,1H3;1H
• InChIKey: SATGWNHMJJMJCN-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 106.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.28
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide?

The IUPAC name of 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide (CID 158556123) is 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide.

What is the SMILES notation for 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide?

The canonical SMILES for 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide is Br.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCNCC4)n3)ccc21.COCCCO.COCCCOC(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.

What is the InChIKey of 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide?

The InChIKey is SATGWNHMJJMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3S.C22H30N2S.C4H10O2.BrH/c1-26(2)11-12-27(3,4)22-17-20(7-8-21(22)26)23-18-33-24(28-23)19-9-13-29(14-10-19)25(30)32-16-6-15-31-5;1-21(2)9-10-22(3,4)18-13-16(5-6-17(18)21)19-14-25-20(24-19)15-7-11-23-12-8-15;1-6-4-2-3-5;/h7-8,17-19H,6,9-16H2,1-5H3;5-6,13-15,23H,7-12H2,1-4H3;5H,2-4H2,1H3;1H.

What are the key properties of 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide?

3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide has a molecular weight of 996.28 g/mol, XLogP of 12.73, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 158556123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).