3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride

C56H80ClN7O3 — CID 158739692

About 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride

3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride (PubChem CID 158739692) has the molecular formula C56H80ClN7O3 and a molecular weight of 934.75 g/mol. Its IUPAC name is 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride
• PubChem CID: 158739692
• Molecular Formula: C56H80ClN7O3
• Molecular Weight: 934.75 g/mol
• Exact Mass: 933.60
• IUPAC Name: 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21.Cl
• InChI: InChI=1S/C28H38N4O2.C28H41N3O.ClH/c1-27(2)10-11-28(3,4)23-20-21(8-9-22(23)27)24-6-5-7-25(29-24)31-15-12-30(13-16-31)14-17-32-18-19-34-26(32)33;1-27(2)13-14-28(3,4)24-21-22(11-12-23(24)27)25-9-8-10-26(29-25)31-18-16-30(17-19-31)15-6-5-7-20-32;/h5-9,20H,10-19H2,1-4H3;8-12,21,32H,5-7,13-20H2,1-4H3;1H
• InChIKey: UKPPUMKGDSXKIH-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 88.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.75
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride?

The IUPAC name of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride (CID 158739692) is 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride.

What is the SMILES notation for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride?

The canonical SMILES for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21.Cl.

What is the InChIKey of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride?

The InChIKey is UKPPUMKGDSXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2.C28H41N3O.ClH/c1-27(2)10-11-28(3,4)23-20-21(8-9-22(23)27)24-6-5-7-25(29-24)31-15-12-30(13-16-31)14-17-32-18-19-34-26(32)33;1-27(2)13-14-28(3,4)24-21-22(11-12-23(24)27)25-9-8-10-26(29-25)31-18-16-30(17-19-31)15-6-5-7-20-32;/h5-9,20H,10-19H2,1-4H3;8-12,21,32H,5-7,13-20H2,1-4H3;1H.

What are the key properties of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride?

3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride has a molecular weight of 934.75 g/mol, XLogP of 10.48, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol;hydrochloride is sourced from PubChem (CID 158739692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).