(2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol

C170H244N18O11 — CID 158203505

About (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol

(2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol (PubChem CID 158203505) has the molecular formula C170H244N18O11 and a molecular weight of 2715.94 g/mol. Its IUPAC name is (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol.

Molecular Properties

• Compound Name: (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol
• PubChem CID: 158203505
• Molecular Formula: C170H244N18O11
• Molecular Weight: 2715.94 g/mol
• Exact Mass: 2713.91
• IUPAC Name: (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(CNCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@@H]5CC[C@@H](O)[C@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@@H]5CC[C@H](O)[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@H]5CC[C@H](O)[C@@H]5O)CC4)n3)ccc21
• InChI: InChI=1S/3C29H41N3O2.2C28H41N3O2.C27H39N3O/c3*1-28(2)14-15-29(3,4)22-18-19(8-9-21(22)28)23-6-5-7-26(31-23)32-16-12-20(13-17-32)30-24-10-11-25(33)27(24)34;2*1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-21(12-17-31)29-15-10-22(33)19-32;1-26(2)12-13-27(3,4)23-18-21(8-9-22(23)26)24-6-5-7-25(29-24)30-15-10-20(11-16-30)19-28-14-17-31/h3*5-9,18,20,24-25,27,30,33-34H,10-17H2,1-4H3;2*5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;5-9,18,20,28,31H,10-17,19H2,1-4H3/t24-,25+,27-;2*24-,25-,27+;2*22-;/m11010./s1
• InChIKey: GBFIUZNTWWAVRD-ATDKHIHDSA-N
• XLogP: 27.32
• TPSA: 391.49 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2715.94
LogP ≤ 5	27.32
H-Bond Donors ≤ 5	17
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)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol?

The IUPAC name of (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol (CID 158203505) is (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol.

What is the SMILES notation for (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol?

The canonical SMILES for (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(CNCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@@H]5CC[C@@H](O)[C@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@@H]5CC[C@H](O)[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N[C@H]5CC[C@H](O)[C@@H]5O)CC4)n3)ccc21.

What is the InChIKey of (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol?

The InChIKey is GBFIUZNTWWAVRD-ATDKHIHDSA-N. The full InChI is InChI=1S/3C29H41N3O2.2C28H41N3O2.C27H39N3O/c3*1-28(2)14-15-29(3,4)22-18-19(8-9-21(22)28)23-6-5-7-26(31-23)32-16-12-20(13-17-32)30-24-10-11-25(33)27(24)34;2*1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-21(12-17-31)29-15-10-22(33)19-32;1-26(2)12-13-27(3,4)23-18-21(8-9-22(23)26)24-6-5-7-25(29-24)30-15-10-20(11-16-30)19-28-14-17-31/h3*5-9,18,20,24-25,27,30,33-34H,10-17H2,1-4H3;2*5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;5-9,18,20,28,31H,10-17,19H2,1-4H3/t24-,25+,27-;2*24-,25-,27+;2*22-;/m11010./s1.

What are the key properties of (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol?

(2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol has a molecular weight of 2715.94 g/mol, XLogP of 27.32, 32 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;(1S,2R,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3S)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;(1R,2S,3R)-3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methylamino]ethanol is sourced from PubChem (CID 158203505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).