1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

C200H289BrF3N21O11 — CID 157246221

IUPAC1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(NCCN)nc1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(CCCNCC(F)(F)F)c1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H21F3N2.C14H19N3.C14H21NO2.C14H16O.C13H15N.C11H13BrN2.C11H19N3/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-13(2,3)11-6-8-19-12(9-11)5-4-7-18-10-14(15,16)17;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-5-10(14-8-9)13-7-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;6,8-9,18H,4-5,7,10H2,1-3H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-9,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4-5,8H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyAVUKMHCNTMIXAU-UHFFFAOYSA-N
MW3300.55 g/mol
LogP44.56
Rot. Bonds31

About 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (PubChem CID 157246221) has the molecular formula C200H289BrF3N21O11 and a molecular weight of 3300.55 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
PubChem CID157246221
Molecular FormulaC200H289BrF3N21O11
Molecular Weight3300.55 g/mol
Exact Mass3297.18
IUPAC Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(NCCN)nc1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(CCCNCC(F)(F)F)c1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H21F3N2.C14H19N3.C14H21NO2.C14H16O.C13H15N.C11H13BrN2.C11H19N3/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-13(2,3)11-6-8-19-12(9-11)5-4-7-18-10-14(15,16)17;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-5-10(14-8-9)13-7-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;6,8-9,18H,4-5,7,10H2,1-3H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-9,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4-5,8H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyAVUKMHCNTMIXAU-UHFFFAOYSA-N
XLogP44.56
TPSA363.06 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.55
LogP ≤ 544.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 157100816
6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 157226880
6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 157870054
CID 157873699
CID 157873699
6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 157904898
6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 158713395
CID 159465343
CID 159465343
6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 159548016
6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159890849
6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 160335644
CID 160449353
CID 160449353
CID 160653964
CID 160653964

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (CID 157246221) is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The canonical SMILES for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(NCCN)nc1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(CCCNCC(F)(F)F)c1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The InChIKey is AVUKMHCNTMIXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H21F3N2.C14H19N3.C14H21NO2.C14H16O.C13H15N.C11H13BrN2.C11H19N3/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-13(2,3)11-6-8-19-12(9-11)5-4-7-18-10-14(15,16)17;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-5-10(14-8-9)13-7-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;6,8-9,18H,4-5,7,10H2,1-3H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-9,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4-5,8H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline has a molecular weight of 3300.55 g/mol, XLogP of 44.56, 31 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(5-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is sourced from PubChem (CID 157246221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).