4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

C139H211F6N15O9S — CID 158100387

About 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 158100387) has the molecular formula C139H211F6N15O9S and a molecular weight of 2382.37 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
• PubChem CID: 158100387
• Molecular Formula: C139H211F6N15O9S
• Molecular Weight: 2382.37 g/mol
• Exact Mass: 2380.61
• IUPAC Name: 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
• SMILES: CC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C
• InChI: InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C16H25NO.C15H23NO.C14H21NO.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,13H,5-9H2,1-4H3;9-12H,4-8H2,1-3H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
• InChIKey: FPEKLHCALMTOQB-UHFFFAOYSA-N
• XLogP: 28.70
• TPSA: 258.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.37
LogP ≤ 5	28.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The IUPAC name of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (CID 158100387) is 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

What is the SMILES notation for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The canonical SMILES for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is CC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The InChIKey is FPEKLHCALMTOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C16H25NO.C15H23NO.C14H21NO.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,13H,5-9H2,1-4H3;9-12H,4-8H2,1-3H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3.

What are the key properties of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 2382.37 g/mol, XLogP of 28.70, 21 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 158100387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).