5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol

C208H307N21O7S6 — CID 159337868

IUPAC5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(C5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(CCCCO)CC4)cs3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCNCC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCO)CC4)s3)ccc21.CCCCCCN1CCC(c2cnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)s2)CC1.CCCCCN1CCC(c2nnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)o2)CC1
InChIInChI=1S/C28H42N4OS.C28H42N2S.C27H40N2O2.C26H39N3OS.C26H39N3O.C26H38N2OS.C25H37N3OS.C22H30N2S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-15-13-31(14-16-32)22-7-11-30(12-8-22)17-18-33;1-6-7-8-9-16-30-17-12-21(13-18-30)25-20-29-26(31-25)22-10-11-23-24(19-22)28(4,5)15-14-27(23,2)3;1-26(2)12-13-27(3,4)23-18-21(8-9-22(23)26)25-28-19-24(31-25)20-10-15-29(16-11-20)14-6-5-7-17-30;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)24-28-27-23(31-24)19-10-15-29(16-11-19)14-6-5-7-17-30;1-6-7-8-15-29-16-11-19(12-17-29)23-27-28-24(30-23)20-9-10-21-22(18-20)26(4,5)14-13-25(21,2)3;1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-23(18-30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)23-27-26-22(30-23)18-9-14-28(15-10-18)13-5-6-16-29;1-21(2)9-10-22(3,4)18-13-16(5-6-17(18)21)20-24-14-19(25-20)15-7-11-23-12-8-15/h5-6,19-20,22,33H,7-18H2,1-4H3;10-11,19-21H,6-9,12-18H2,1-5H3;8-9,18-20,30H,5-7,10-17H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;9-10,18-19H,6-8,11-17H2,1-5H3;7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;5-6,13-15,23H,7-12H2,1-4H3
InChIKeyLFTRIBGZDJVSHK-UHFFFAOYSA-N
MW3406.29 g/mol
LogP48.28
Rot. Bonds46

About 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol

5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol (PubChem CID 159337868) has the molecular formula C208H307N21O7S6 and a molecular weight of 3406.29 g/mol. Its IUPAC name is 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
PubChem CID159337868
Molecular FormulaC208H307N21O7S6
Molecular Weight3406.29 g/mol
Exact Mass3403.26
IUPAC Name5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(C5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(CCCCO)CC4)cs3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCNCC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCO)CC4)s3)ccc21.CCCCCCN1CCC(c2cnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)s2)CC1.CCCCCN1CCC(c2nnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)o2)CC1
InChIInChI=1S/C28H42N4OS.C28H42N2S.C27H40N2O2.C26H39N3OS.C26H39N3O.C26H38N2OS.C25H37N3OS.C22H30N2S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-15-13-31(14-16-32)22-7-11-30(12-8-22)17-18-33;1-6-7-8-9-16-30-17-12-21(13-18-30)25-20-29-26(31-25)22-10-11-23-24(19-22)28(4,5)15-14-27(23,2)3;1-26(2)12-13-27(3,4)23-18-21(8-9-22(23)26)25-28-19-24(31-25)20-10-15-29(16-11-20)14-6-5-7-17-30;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)24-28-27-23(31-24)19-10-15-29(16-11-19)14-6-5-7-17-30;1-6-7-8-15-29-16-11-19(12-17-29)23-27-28-24(30-23)20-9-10-21-22(18-20)26(4,5)14-13-25(21,2)3;1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-23(18-30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)23-27-26-22(30-23)18-9-14-28(15-10-18)13-5-6-16-29;1-21(2)9-10-22(3,4)18-13-16(5-6-17(18)21)20-24-14-19(25-20)15-7-11-23-12-8-15/h5-6,19-20,22,33H,7-18H2,1-4H3;10-11,19-21H,6-9,12-18H2,1-5H3;8-9,18-20,30H,5-7,10-17H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;9-10,18-19H,6-8,11-17H2,1-5H3;7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;5-6,13-15,23H,7-12H2,1-4H3
InChIKeyLFTRIBGZDJVSHK-UHFFFAOYSA-N
XLogP48.28
TPSA310.41 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003406.29
LogP ≤ 548.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol (CID 159337868) is 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(C5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(CCCCO)CC4)cs3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCNCC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nnc(C4CCN(CCCCO)CC4)s3)ccc21.CCCCCCN1CCC(c2cnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)s2)CC1.CCCCCN1CCC(c2nnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)o2)CC1.
What is the InChIKey of 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The InChIKey is LFTRIBGZDJVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4OS.C28H42N2S.C27H40N2O2.C26H39N3OS.C26H39N3O.C26H38N2OS.C25H37N3OS.C22H30N2S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-15-13-31(14-16-32)22-7-11-30(12-8-22)17-18-33;1-6-7-8-9-16-30-17-12-21(13-18-30)25-20-29-26(31-25)22-10-11-23-24(19-22)28(4,5)15-14-27(23,2)3;1-26(2)12-13-27(3,4)23-18-21(8-9-22(23)26)25-28-19-24(31-25)20-10-15-29(16-11-20)14-6-5-7-17-30;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)24-28-27-23(31-24)19-10-15-29(16-11-19)14-6-5-7-17-30;1-6-7-8-15-29-16-11-19(12-17-29)23-27-28-24(30-23)20-9-10-21-22(18-20)26(4,5)14-13-25(21,2)3;1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-23(18-30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)23-27-26-22(30-23)18-9-14-28(15-10-18)13-5-6-16-29;1-21(2)9-10-22(3,4)18-13-16(5-6-17(18)21)20-24-14-19(25-20)15-7-11-23-12-8-15/h5-6,19-20,22,33H,7-18H2,1-4H3;10-11,19-21H,6-9,12-18H2,1-5H3;8-9,18-20,30H,5-7,10-17H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;9-10,18-19H,6-8,11-17H2,1-5H3;7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;5-6,13-15,23H,7-12H2,1-4H3.
What are the key properties of 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol has a molecular weight of 3406.29 g/mol, XLogP of 48.28, 46 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 159337868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).