4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate

C231H309F3N8O10 — CID 162002814

IUPAC4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate
SMILESCC1(C)CC(C2CCC(c3ccc(C4C=CC=CC=C4)cc3F)CC2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2c(F)cc(C3CCC(C4C=CC=CC=C4)CC3)cc2F)CC(C)(C)N1O.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1O.CC1(C)CC(c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CN1C(C)(C)C=C(C2CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(C2=CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(OC(=O)c2ccc(C3CC=C(C4C=CC=CC=C4)CC3)cc2)CC1(C)C
InChIInChI=1S/C30H39NO2.C29H37F2NO3.C29H39NO3.C29H39NO2.2C29H39N.C28H38FN.C28H39N/c1-29(2)20-27(21-30(3,4)31(29)5)33-28(32)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-28(2)17-23(18-29(3,4)32(28)34)35-27(33)26-24(30)15-22(16-25(26)31)21-13-11-20(12-14-21)19-9-7-5-6-8-10-19;1-28(2)19-26(20-29(3,4)30(28)32)33-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;1-28(2)19-26(20-29(3,4)30-28)32-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;2*1-28(2)20-27(21-29(3,4)30(28)5)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-27(2)18-24(19-28(3,4)30-27)21-11-13-22(14-12-21)25-16-15-23(17-26(25)29)20-9-7-5-6-8-10-20;1-27(2)19-26(20-28(3,4)29-27)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21/h6-12,16-19,22,24,27H,13-15,20-21H2,1-5H3;5-10,15-16,19-21,23,34H,11-14,17-18H2,1-4H3;5-10,15-18,21-23,26,32H,11-14,19-20H2,1-4H3;5-10,15-18,21-23,26,30H,11-14,19-20H2,1-4H3;6-15,20,22,25-26H,16-19,21H2,1-5H3;6-15,18,22,25,27H,16-17,19-21H2,1-5H3;5-10,15-17,20-22,24,30H,11-14,18-19H2,1-4H3;5-10,15-18,21-23,26,29H,11-14,19-20H2,1-4H3
InChIKeyYSLAJAPXRRPROF-UHFFFAOYSA-N
MW3415.05 g/mol
LogP57.44
Rot. Bonds28

About 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate

4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate (PubChem CID 162002814) has the molecular formula C231H309F3N8O10 and a molecular weight of 3415.05 g/mol. Its IUPAC name is 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate.

Molecular Properties

Compound Name4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate
PubChem CID162002814
Molecular FormulaC231H309F3N8O10
Molecular Weight3415.05 g/mol
Exact Mass3412.39
IUPAC Name4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate
SMILESCC1(C)CC(C2CCC(c3ccc(C4C=CC=CC=C4)cc3F)CC2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2c(F)cc(C3CCC(C4C=CC=CC=C4)CC3)cc2F)CC(C)(C)N1O.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1O.CC1(C)CC(c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CN1C(C)(C)C=C(C2CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(C2=CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(OC(=O)c2ccc(C3CC=C(C4C=CC=CC=C4)CC3)cc2)CC1(C)C
InChIInChI=1S/C30H39NO2.C29H37F2NO3.C29H39NO3.C29H39NO2.2C29H39N.C28H38FN.C28H39N/c1-29(2)20-27(21-30(3,4)31(29)5)33-28(32)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-28(2)17-23(18-29(3,4)32(28)34)35-27(33)26-24(30)15-22(16-25(26)31)21-13-11-20(12-14-21)19-9-7-5-6-8-10-19;1-28(2)19-26(20-29(3,4)30(28)32)33-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;1-28(2)19-26(20-29(3,4)30-28)32-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;2*1-28(2)20-27(21-29(3,4)30(28)5)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-27(2)18-24(19-28(3,4)30-27)21-11-13-22(14-12-21)25-16-15-23(17-26(25)29)20-9-7-5-6-8-10-20;1-27(2)19-26(20-28(3,4)29-27)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21/h6-12,16-19,22,24,27H,13-15,20-21H2,1-5H3;5-10,15-16,19-21,23,34H,11-14,17-18H2,1-4H3;5-10,15-18,21-23,26,32H,11-14,19-20H2,1-4H3;5-10,15-18,21-23,26,30H,11-14,19-20H2,1-4H3;6-15,20,22,25-26H,16-19,21H2,1-5H3;6-15,18,22,25,27H,16-17,19-21H2,1-5H3;5-10,15-17,20-22,24,30H,11-14,18-19H2,1-4H3;5-10,15-18,21-23,26,29H,11-14,19-20H2,1-4H3
InChIKeyYSLAJAPXRRPROF-UHFFFAOYSA-N
XLogP57.44
TPSA197.95 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003415.05
LogP ≤ 557.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate?
The IUPAC name of 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate (CID 162002814) is 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate.
What is the SMILES notation for 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate?
The canonical SMILES for 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate is CC1(C)CC(C2CCC(c3ccc(C4C=CC=CC=C4)cc3F)CC2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2c(F)cc(C3CCC(C4C=CC=CC=C4)CC3)cc2F)CC(C)(C)N1O.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CC1(C)CC(OC(=O)c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1O.CC1(C)CC(c2ccc(C3CCC(C4C=CC=CC=C4)CC3)cc2)CC(C)(C)N1.CN1C(C)(C)C=C(C2CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(C2=CCC(c3ccc(C4C=CC=CC=C4)cc3)CC2)CC1(C)C.CN1C(C)(C)CC(OC(=O)c2ccc(C3CC=C(C4C=CC=CC=C4)CC3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate?
The InChIKey is YSLAJAPXRRPROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NO2.C29H37F2NO3.C29H39NO3.C29H39NO2.2C29H39N.C28H38FN.C28H39N/c1-29(2)20-27(21-30(3,4)31(29)5)33-28(32)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-28(2)17-23(18-29(3,4)32(28)34)35-27(33)26-24(30)15-22(16-25(26)31)21-13-11-20(12-14-21)19-9-7-5-6-8-10-19;1-28(2)19-26(20-29(3,4)30(28)32)33-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;1-28(2)19-26(20-29(3,4)30-28)32-27(31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21;2*1-28(2)20-27(21-29(3,4)30(28)5)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-6-7-9-11-22;1-27(2)18-24(19-28(3,4)30-27)21-11-13-22(14-12-21)25-16-15-23(17-26(25)29)20-9-7-5-6-8-10-20;1-27(2)19-26(20-28(3,4)29-27)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-5-6-8-10-21/h6-12,16-19,22,24,27H,13-15,20-21H2,1-5H3;5-10,15-16,19-21,23,34H,11-14,17-18H2,1-4H3;5-10,15-18,21-23,26,32H,11-14,19-20H2,1-4H3;5-10,15-18,21-23,26,30H,11-14,19-20H2,1-4H3;6-15,20,22,25-26H,16-19,21H2,1-5H3;6-15,18,22,25,27H,16-17,19-21H2,1-5H3;5-10,15-17,20-22,24,30H,11-14,18-19H2,1-4H3;5-10,15-18,21-23,26,29H,11-14,19-20H2,1-4H3.
What are the key properties of 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate?
4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate has a molecular weight of 3415.05 g/mol, XLogP of 57.44, 28 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-yl-2-fluorophenyl)cyclohexyl]-2,2,6,6-tetramethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexen-1-yl]-1,2,2,6,6-pentamethylpiperidine;4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]-1,2,2,6,6-pentamethyl-3H-pyridine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)-2,6-difluorobenzoate;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohex-3-en-1-yl)benzoate;(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate is sourced from PubChem (CID 162002814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).