4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate

C58H84N6O3 — CID 162090406

About 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate

4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate (PubChem CID 162090406) has the molecular formula C58H84N6O3 and a molecular weight of 913.35 g/mol. Its IUPAC name is 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate.

Molecular Properties

• Compound Name: 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate
• PubChem CID: 162090406
• Molecular Formula: C58H84N6O3
• Molecular Weight: 913.35 g/mol
• Exact Mass: 912.66
• IUPAC Name: 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate
• SMILES: CC(=O)OCCCCNC1CCCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCCC(NCCCCO)C4)n3)ccc21
• InChI: InChI=1S/C30H43N3O2.C28H41N3O/c1-22(34)35-19-7-6-17-31-24-10-9-18-33(21-24)28-12-8-11-27(32-28)23-13-14-25-26(20-23)30(4,5)16-15-29(25,2)3;1-27(2)14-15-28(3,4)24-19-21(12-13-23(24)27)25-10-7-11-26(30-25)31-17-8-9-22(20-31)29-16-5-6-18-32/h8,11-14,20,24,31H,6-7,9-10,15-19,21H2,1-5H3;7,10-13,19,22,29,32H,5-6,8-9,14-18,20H2,1-4H3
• InChIKey: ZDNJOFSUAOHHJG-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 102.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.35
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	3
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 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate?

The IUPAC name of 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate (CID 162090406) is 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate.

What is the SMILES notation for 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate?

The canonical SMILES for 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate is CC(=O)OCCCCNC1CCCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCCC(NCCCCO)C4)n3)ccc21.

What is the InChIKey of 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate?

The InChIKey is ZDNJOFSUAOHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O2.C28H41N3O/c1-22(34)35-19-7-6-17-31-24-10-9-18-33(21-24)28-12-8-11-27(32-28)23-13-14-25-26(20-23)30(4,5)16-15-29(25,2)3;1-27(2)14-15-28(3,4)24-19-21(12-13-23(24)27)25-10-7-11-26(30-25)31-17-8-9-22(20-31)29-16-5-6-18-32/h8,11-14,20,24,31H,6-7,9-10,15-19,21H2,1-5H3;7,10-13,19,22,29,32H,5-6,8-9,14-18,20H2,1-4H3.

What are the key properties of 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate?

4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate has a molecular weight of 913.35 g/mol, XLogP of 11.43, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butan-1-ol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-3-yl]amino]butyl acetate is sourced from PubChem (CID 162090406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).