4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

C105H156N10O9S4 — CID 158971253

IUPAC4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESCC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C20H33NO.C18H29N.3C17H24N2O2S.C16H22N2O2S/c1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17/h8-9,12,15H,10-11,13-14H2,1-7H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3
InChIKeyJNVSFGYFHMVNGI-UHFFFAOYSA-N
MW1830.73 g/mol
LogP24.12
Rot. Bonds17

About 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (PubChem CID 158971253) has the molecular formula C105H156N10O9S4 and a molecular weight of 1830.73 g/mol. Its IUPAC name is 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.

Molecular Properties

Compound Name4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
PubChem CID158971253
Molecular FormulaC105H156N10O9S4
Molecular Weight1830.73 g/mol
Exact Mass1829.09
IUPAC Name4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESCC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C20H33NO.C18H29N.3C17H24N2O2S.C16H22N2O2S/c1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17/h8-9,12,15H,10-11,13-14H2,1-7H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3
InChIKeyJNVSFGYFHMVNGI-UHFFFAOYSA-N
XLogP24.12
TPSA184.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.73
LogP ≤ 524.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole with MolForge

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Related Compounds

Bis(cobalt(2+));oxolane;bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene
CID 139157593
Tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium
CID 139158352
2-[2-[4-(4-Carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenyl-5-[4-[2-[2-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-4-pyridinyl]carbazol-9-yl]phenyl]carbazole
CID 137534907
9-[2-[2-[3,5-Bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-5-id-1-yl]phenyl]cyclohexyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-3-phenylcarbazole;iridium(3+)
CID 149105527
3-(2-Tert-butyl-6-propan-2-yl-10-quinolin-8-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole;3-(2,6-dimethyl-10-pyridin-4-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole;3-(2,6-diphenyl-10-pyridin-3-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole;3-(2,6-diphenyl-10-quinolin-2-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole;3-(3,10-dipyridin-3-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-(3-naphthalen-2-yl-10-pyridin-3-ylanthracen-9-yl)-9-phenylcarbazole
CID 157131887
2-(3,5-dimethylbenzene-6-id-1-yl)-6,7-dimethylquinoline;1-(3,4-dimethylbenzene-6-id-1-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;1-phenyl-5H-cyclopenta[c]pyridine
CID 157221840
Bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole
CID 157309388
carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide
CID 157336413
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(2-methylbutan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-(2-methylpropyl)pyridine;tris(iridium(3+));3-phenyl-9-[2-[2-[3-[2-[2-(3-phenylcarbazol-9-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-pyridin-2-ylbenzene-4-id-1-yl]carbazole
CID 157351385
9-[9,10-Bis(5-tert-butyl-2-pyridinyl)-6-(3,6-ditert-butylcarbazol-9-yl)anthracen-2-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
CID 157376178
10-[2-[3,5-bis[2-[4-[4-(2-methylpentan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-12H-phenanthro[9,10-b]pyridin-12-ide;tris(iridium(3+));10-[2-[3-[2-[4-[4-(2-methylpentan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(12H-phenanthro[10,9-b]pyridin-12-id-10-yl)phenyl]phenyl]phenyl]-12H-phenanthro[9,10-b]pyridin-12-ide;10-[2-[3-[2-(12H-phenanthro[10,9-b]pyridin-12-id-10-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-12H-phenanthro[9,10-b]pyridin-12-ide
CID 157430647
9-Phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 157453480

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The IUPAC name of 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (CID 158971253) is 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.
What is the SMILES notation for 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The canonical SMILES for 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is CC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12.
What is the InChIKey of 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The InChIKey is JNVSFGYFHMVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.C18H29N.3C17H24N2O2S.C16H22N2O2S/c1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17/h8-9,12,15H,10-11,13-14H2,1-7H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3.
What are the key properties of 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole has a molecular weight of 1830.73 g/mol, XLogP of 24.12, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is sourced from PubChem (CID 158971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).