(2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid

C160H224N20O11 — CID 161247482

About (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid

(2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid (PubChem CID 161247482) has the molecular formula C160H224N20O11 and a molecular weight of 2603.68 g/mol. Its IUPAC name is (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid
• PubChem CID: 161247482
• Molecular Formula: C160H224N20O11
• Molecular Weight: 2603.68 g/mol
• Exact Mass: 2601.76
• IUPAC Name: (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCOCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CO)CC4)n3)ccc21.C[C@@H](O)[C@H](N)CNC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
• InChI: InChI=1S/C28H38N4O2.C28H42N4O.C27H39N3O2.C26H35N3O2.C26H37N3O2.C25H33N3O2/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;1-19(33)24(29)18-30-21-11-15-32(16-12-21)26-8-6-7-25(31-26)20-9-10-22-23(17-20)28(4,5)14-13-27(22,2)3;1-26(2)10-11-27(3,4)23-20-21(8-9-22(23)26)24-6-5-7-25(28-24)30-14-12-29(13-15-30)16-18-32-19-17-31;1-25(2)11-12-26(3,4)21-18-19(8-9-20(21)25)22-6-5-7-23(27-22)29-16-14-28(15-17-29)13-10-24(30)31;1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(27-23)29-14-12-28(13-15-29)17-20(31)18-30;1-24(2)10-11-25(3,4)20-16-18(8-9-19(20)24)21-6-5-7-22(26-21)28-14-12-27(13-15-28)17-23(29)30/h5-9,20H,10-19H2,1-4H3;6-10,17,19,21,24,30,33H,11-16,18,29H2,1-5H3;5-9,20,31H,10-19H2,1-4H3;5-9,18H,10-17H2,1-4H3,(H,30,31);5-9,16,20,30-31H,10-15,17-18H2,1-4H3;5-9,16H,10-15,17H2,1-4H3,(H,29,30)/t;19-,24-;;;20-;/m.1..1./s1
• InChIKey: VAVFOSBBRMECTC-XZDLNERPSA-N
• XLogP: 25.84
• TPSA: 345.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.68
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid?

The IUPAC name of (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid (CID 161247482) is (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid.

What is the SMILES notation for (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid?

The canonical SMILES for (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCOCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CO)CC4)n3)ccc21.C[C@@H](O)[C@H](N)CNC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.

What is the InChIKey of (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid?

The InChIKey is VAVFOSBBRMECTC-XZDLNERPSA-N. The full InChI is InChI=1S/C28H38N4O2.C28H42N4O.C27H39N3O2.C26H35N3O2.C26H37N3O2.C25H33N3O2/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;1-19(33)24(29)18-30-21-11-15-32(16-12-21)26-8-6-7-25(31-26)20-9-10-22-23(17-20)28(4,5)14-13-27(22,2)3;1-26(2)10-11-27(3,4)23-20-21(8-9-22(23)26)24-6-5-7-25(28-24)30-14-12-29(13-15-30)16-18-32-19-17-31;1-25(2)11-12-26(3,4)21-18-19(8-9-20(21)25)22-6-5-7-23(27-22)29-16-14-28(15-17-29)13-10-24(30)31;1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(27-23)29-14-12-28(13-15-29)17-20(31)18-30;1-24(2)10-11-25(3,4)20-16-18(8-9-19(20)24)21-6-5-7-22(26-21)28-14-12-27(13-15-28)17-23(29)30/h5-9,20H,10-19H2,1-4H3;6-10,17,19,21,24,30,33H,11-16,18,29H2,1-5H3;5-9,20,31H,10-19H2,1-4H3;5-9,18H,10-17H2,1-4H3,(H,30,31);5-9,16,20,30-31H,10-15,17-18H2,1-4H3;5-9,16H,10-15,17H2,1-4H3,(H,29,30)/t;19-,24-;;;20-;/m.1..1./s1.

What are the key properties of (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid?

(2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid has a molecular weight of 2603.68 g/mol, XLogP of 25.84, 32 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-2-ol;2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetic acid;2-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethoxy]ethanol;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;(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol;3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 161247482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).