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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane

C207H282F10N22O6S3 — CID 160824705

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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane (PubChem CID 160824705) has the molecular formula C207H282F10N22O6S3 and a molecular weight of 3460.86 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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
• PubChem CID: 160824705
• Molecular Formula: C207H282F10N22O6S3
• Molecular Weight: 3460.86 g/mol
• Exact Mass: 3458.14
• 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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cscn1.CC(C)c1ncco1.Cc1nc(C(C)C)c2ccccn12.Cc1nc2ccccn2c1C(C)C
• InChI: InChI=1S/2C18H28N2O2.C15H23N.C14H15N.C13H19NS.C12H13NS.C12H13N.2C11H14N2.2C11H12N2.C11H13N.C10H16N2.C9H12.C8H16O.C6H7F7.C6H9NO.C6H9NS.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;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;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;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)11-9(3)12-10-6-4-5-7-13(10)11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-6-5-7-11-10(9)12(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-3(2)4(7,8)5(9,10)6(11,12)13;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-4(2)3-5(6,7)8/h2*6-9,14H,10-13H2,1-5H3;3-7,13,15H,8-12H2,1-2H3;3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3H,1-2H3;2*3-5H,1-2H3;4H,3H2,1-2H3
• InChIKey: SFZSIVBKEVRLKA-UHFFFAOYSA-N
• XLogP: 56.82
• TPSA: 274.04 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3460.86
LogP ≤ 5	56.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', '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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane (CID 160824705) 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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cscn1.CC(C)c1ncco1.Cc1nc(C(C)C)c2ccccn12.Cc1nc2ccccn2c1C(C)C.

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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane?

The InChIKey is SFZSIVBKEVRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28N2O2.C15H23N.C14H15N.C13H19NS.C12H13NS.C12H13N.2C11H14N2.2C11H12N2.C11H13N.C10H16N2.C9H12.C8H16O.C6H7F7.C6H9NO.C6H9NS.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;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;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;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)11-9(3)12-10-6-4-5-7-13(10)11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-6-5-7-11-10(9)12(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-3(2)4(7,8)5(9,10)6(11,12)13;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-4(2)3-5(6,7)8/h2*6-9,14H,10-13H2,1-5H3;3-7,13,15H,8-12H2,1-2H3;3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3H,1-2H3;2*3-5H,1-2H3;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane has a molecular weight of 3460.86 g/mol, XLogP of 56.82, 28 rotatable bonds, 0 hydrogen bond donors, and 29 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;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane is sourced from PubChem (CID 160824705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).