1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane

C193H251F26N15O4S3 — CID 159817979

About 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane

1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane (PubChem CID 159817979) has the molecular formula C193H251F26N15O4S3 and a molecular weight of 3435.38 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane.

Molecular Properties

• Compound Name: 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane
• PubChem CID: 159817979
• Molecular Formula: C193H251F26N15O4S3
• Molecular Weight: 3435.38 g/mol
• Exact Mass: 3432.86
• IUPAC Name: 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane
• SMILES: CC(C)C(F)(F)C(F)(F)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)CC(F)(F)F.CC(C)CCc1ccccc1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1c(F)cccc1F.CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cnc(N)s1.Cc1nc(C(C)C)c2ccccn12
• InChI: InChI=1S/2C18H28N2O2.C16H15F3.C15H23N.C13H19NS.C12H13NS.C12H13N.C11H10F6.C11H14N2.C11H13N.C11H16.C10H16N2.C9H7F5.C9H10F2.C6H7F7.C6H10N2S.C5H9F3/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-14(2)15-8-6-7-9-16(15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-11(2)13-4-3-5-14(10-13)12-6-8-15(9-7-12)16(17,18)19;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11(15,16)17;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)9-6-5-7-11-10(9)12(3)4;1-3(2)4-5(10)7(12)9(14)8(13)6(4)11;1-6(2)9-7(10)4-3-5-8(9)11;1-3(2)4(7,8)5(9,10)6(11,12)13;1-4(2)5-3-8-6(7)9-5;1-4(2)3-5(6,7)8/h2*6-9,14H,10-13H2,1-5H3;3-11H,1-2H3;3-7,13,15H,8-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;3-6H,1-2H3;4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;3H,1-2H3;3-6H,1-2H3;3H,1-2H3;3-4H,1-2H3,(H2,7,8);4H,3H2,1-2H3
• InChIKey: NLWCTRXJKNNRJG-UHFFFAOYSA-N
• XLogP: 57.79
• TPSA: 183.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3435.38
LogP ≤ 5	57.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane?

The IUPAC name of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane (CID 159817979) is 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane.

What is the SMILES notation for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane?

The canonical SMILES for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane is CC(C)C(F)(F)C(F)(F)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)CC(F)(F)F.CC(C)CCc1ccccc1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1c(F)cccc1F.CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cnc(N)s1.Cc1nc(C(C)C)c2ccccn12.

What is the InChIKey of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane?

The InChIKey is NLWCTRXJKNNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28N2O2.C16H15F3.C15H23N.C13H19NS.C12H13NS.C12H13N.C11H10F6.C11H14N2.C11H13N.C11H16.C10H16N2.C9H7F5.C9H10F2.C6H7F7.C6H10N2S.C5H9F3/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-14(2)15-8-6-7-9-16(15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-11(2)13-4-3-5-14(10-13)12-6-8-15(9-7-12)16(17,18)19;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11(15,16)17;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)9-6-5-7-11-10(9)12(3)4;1-3(2)4-5(10)7(12)9(14)8(13)6(4)11;1-6(2)9-7(10)4-3-5-8(9)11;1-3(2)4(7,8)5(9,10)6(11,12)13;1-4(2)5-3-8-6(7)9-5;1-4(2)3-5(6,7)8/h2*6-9,14H,10-13H2,1-5H3;3-11H,1-2H3;3-7,13,15H,8-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;3-6H,1-2H3;4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;3H,1-2H3;3-6H,1-2H3;3H,1-2H3;3-4H,1-2H3,(H2,7,8);4H,3H2,1-2H3.

What are the key properties of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane?

1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane has a molecular weight of 3435.38 g/mol, XLogP of 57.79, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1,3-difluoro-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;3-methylbutylbenzene;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]benzene;1,1,1-trifluoro-3-methylbutane is sourced from PubChem (CID 159817979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).