(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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol

C164H234N20O11 — CID 159822437

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol

(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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol (PubChem CID 159822437) has the molecular formula C164H234N20O11 and a molecular weight of 2661.80 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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol.

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol
• PubChem CID: 159822437
• Molecular Formula: C164H234N20O11
• Molecular Weight: 2661.80 g/mol
• Exact Mass: 2659.84
• 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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(CO)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(=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.C[C@@H](O)[C@H](N)CNC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
• InChI: InChI=1S/C29H43N3O2.C28H38N4O2.C28H42N4O.2C27H39N3O2.C25H33N3O2/c1-28(2)14-15-29(3,4)25-19-21(10-11-24(25)28)26-8-5-9-27(31-26)32-16-12-22(13-17-32)30-23(20-34)7-6-18-33;1-27(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)12-13-27(3,4)23-16-19(8-9-22(23)26)24-6-5-7-25(29-24)30-14-10-20(11-15-30)28-17-21(32)18-31;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;1-24(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/h5,8-11,19,22-23,30,33-34H,6-7,12-18,20H2,1-4H3;5-9,20H,10-19H2,1-4H3;6-10,17,19,21,24,30,33H,11-16,18,29H2,1-5H3;5-9,16,20-21,28,31-32H,10-15,17-18H2,1-4H3;5-9,20,31H,10-19H2,1-4H3;5-9,16H,10-15,17H2,1-4H3,(H,29,30)/t;;19-,24-;21-;;/m..11../s1
• InChIKey: NMKJVEPFYLHVDA-ZWOZBLLGSA-N
• XLogP: 26.37
• TPSA: 366.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.80
LogP ≤ 5	26.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol?

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol (CID 159822437) 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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol.

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol?

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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(CO)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(=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.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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol?

The InChIKey is NMKJVEPFYLHVDA-ZWOZBLLGSA-N. The full InChI is InChI=1S/C29H43N3O2.C28H38N4O2.C28H42N4O.2C27H39N3O2.C25H33N3O2/c1-28(2)14-15-29(3,4)25-19-21(10-11-24(25)28)26-8-5-9-27(31-26)32-16-12-22(13-17-32)30-23(20-34)7-6-18-33;1-27(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)12-13-27(3,4)23-16-19(8-9-22(23)26)24-6-5-7-25(29-24)30-14-10-20(11-15-30)28-17-21(32)18-31;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;1-24(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/h5,8-11,19,22-23,30,33-34H,6-7,12-18,20H2,1-4H3;5-9,20H,10-19H2,1-4H3;6-10,17,19,21,24,30,33H,11-16,18,29H2,1-5H3;5-9,16,20-21,28,31-32H,10-15,17-18H2,1-4H3;5-9,20,31H,10-19H2,1-4H3;5-9,16H,10-15,17H2,1-4H3,(H,29,30)/t;;19-,24-;21-;;/m..11../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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol?

(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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol has a molecular weight of 2661.80 g/mol, XLogP of 26.37, 36 rotatable bonds, 11 hydrogen bond donors, and 29 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;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol;(2R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 159822437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).