4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid

C201H291N23O11 — CID 158949086

IUPAC4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.COCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C32H49N3O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2.C28H41N3O.C27H37N3O2/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(33-29)35-20-14-26(15-21-35)34(18-5-7-22-36)19-6-8-23-37;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(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)15-6-7-20-32-5;1-26(2)13-14-27(3,4)22-18-19(8-9-21(22)26)23-6-5-7-24(29-23)30-16-11-20(12-17-30)28-15-10-25(31)32/h9-13,24,26,36-37H,5-8,14-23H2,1-4H3;5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33);8-12,21H,6-7,13-20H2,1-5H3;5-9,18,20,28H,10-17H2,1-4H3,(H,31,32)/t;25-,26+;;24-,25+;;;/m.1.1.../s1
InChIKeyJLEUXTWKUJBZTP-QFCNEUADSA-N
MW3205.69 g/mol
LogP35.13
Rot. Bonds48

About 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid

4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid (PubChem CID 158949086) has the molecular formula C201H291N23O11 and a molecular weight of 3205.69 g/mol. Its IUPAC name is 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid
PubChem CID158949086
Molecular FormulaC201H291N23O11
Molecular Weight3205.69 g/mol
Exact Mass3203.29
IUPAC Name4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.COCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C32H49N3O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2.C28H41N3O.C27H37N3O2/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(33-29)35-20-14-26(15-21-35)34(18-5-7-22-36)19-6-8-23-37;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(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)15-6-7-20-32-5;1-26(2)13-14-27(3,4)22-18-19(8-9-21(22)26)23-6-5-7-24(29-23)30-16-11-20(12-17-30)28-15-10-25(31)32/h9-13,24,26,36-37H,5-8,14-23H2,1-4H3;5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33);8-12,21H,6-7,13-20H2,1-5H3;5-9,18,20,28H,10-17H2,1-4H3,(H,31,32)/t;25-,26+;;24-,25+;;;/m.1.1.../s1
InChIKeyJLEUXTWKUJBZTP-QFCNEUADSA-N
XLogP35.13
TPSA391.23 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003205.69
LogP ≤ 535.13
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid?
The IUPAC name of 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid (CID 158949086) is 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.COCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid?
The InChIKey is JLEUXTWKUJBZTP-QFCNEUADSA-N. The full InChI is InChI=1S/C32H49N3O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2.C28H41N3O.C27H37N3O2/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(33-29)35-20-14-26(15-21-35)34(18-5-7-22-36)19-6-8-23-37;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(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)15-6-7-20-32-5;1-26(2)13-14-27(3,4)22-18-19(8-9-21(22)26)23-6-5-7-24(29-23)30-16-11-20(12-17-30)28-15-10-25(31)32/h9-13,24,26,36-37H,5-8,14-23H2,1-4H3;5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33);8-12,21H,6-7,13-20H2,1-5H3;5-9,18,20,28H,10-17H2,1-4H3,(H,31,32)/t;25-,26+;;24-,25+;;;/m.1.1.../s1.
What are the key properties of 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid?
4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid has a molecular weight of 3205.69 g/mol, XLogP of 35.13, 48 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;1-(4-methoxybutyl)-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 158949086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).