4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine

C153H234F6N18O13S2 — CID 159409896

About 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine

4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (PubChem CID 159409896) has the molecular formula C153H234F6N18O13S2 and a molecular weight of 2711.79 g/mol. Its IUPAC name is 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
• PubChem CID: 159409896
• Molecular Formula: C153H234F6N18O13S2
• Molecular Weight: 2711.79 g/mol
• Exact Mass: 2709.75
• IUPAC Name: 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
• SMILES: CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccn2)CC1.CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN1CCC(Oc2cc(C(C)(C)C)ccn2)CC1
• InChI: InChI=1S/C16H23F3N2O.C16H22F3NO.C16H24N2O2.C16H23NO2.C15H25N3.C15H24N2O3S.C15H24N2O.C15H24N2.C15H23NO3S.C14H22N2/c1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-12(19)18-9-6-14(7-10-18)20-15-11-13(5-8-17-15)16(2,3)4;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(4)8-6-12;1-15(2,3)12-5-8-16-14(11-12)20-13-6-9-17(10-7-13)21(4,18)19;1-15(2,3)12-5-8-16-14(11-12)18-13-6-9-17(4)10-7-13;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h4,7,10,13H,5-6,8-9,11H2,1-3H3;4-7,14H,8-11H2,1-3H3;5,8,11,14H,6-7,9-10H2,1-4H3;5-8,15H,9-11H2,1-4H3;10-12H,5-9H2,1-4H3;5,8,11,13H,6-7,9-10H2,1-4H3;5,8,11,13H,6-7,9-10H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;5,7,9,11,15H,4,6,8,10H2,1-3H3
• InChIKey: LOLGNSTUPAEOCT-UHFFFAOYSA-N
• XLogP: 29.08
• TPSA: 320.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.79
LogP ≤ 5	29.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?

The IUPAC name of 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (CID 159409896) is 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine.

What is the SMILES notation for 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?

The canonical SMILES for 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccn2)CC1.CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN1CCC(Oc2cc(C(C)(C)C)ccn2)CC1.

What is the InChIKey of 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?

The InChIKey is LOLGNSTUPAEOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.C16H22F3NO.C16H24N2O2.C16H23NO2.C15H25N3.C15H24N2O3S.C15H24N2O.C15H24N2.C15H23NO3S.C14H22N2/c1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-12(19)18-9-6-14(7-10-18)20-15-11-13(5-8-17-15)16(2,3)4;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(4)8-6-12;1-15(2,3)12-5-8-16-14(11-12)20-13-6-9-17(10-7-13)21(4,18)19;1-15(2,3)12-5-8-16-14(11-12)18-13-6-9-17(4)10-7-13;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h4,7,10,13H,5-6,8-9,11H2,1-3H3;4-7,14H,8-11H2,1-3H3;5,8,11,14H,6-7,9-10H2,1-4H3;5-8,15H,9-11H2,1-4H3;10-12H,5-9H2,1-4H3;5,8,11,13H,6-7,9-10H2,1-4H3;5,8,11,13H,6-7,9-10H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;5,7,9,11,15H,4,6,8,10H2,1-3H3.

What are the key properties of 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?

4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine has a molecular weight of 2711.79 g/mol, XLogP of 29.08, 24 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 159409896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).