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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine

C134H209F3N22O10S — CID 158538329

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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (PubChem CID 158538329) has the molecular formula C134H209F3N22O10S and a molecular weight of 2377.35 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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
• PubChem CID: 158538329
• Molecular Formula: C134H209F3N22O10S
• Molecular Weight: 2377.35 g/mol
• Exact Mass: 2375.62
• 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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
• SMILES: CC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(CC2CCNC2)ncn1.CC(C)(C)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(OC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2CCOC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN1CCC(Oc2cc(C(C)(C)C)ccn2)CC1
• InChI: InChI=1S/C16H23F3N2O.C16H24N2O2.C15H24N4O.C15H23N3O.C15H25N3.C15H24N2O3S.C15H24N2O.C14H21NO.C13H21N3/c1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;1-12(19)18-9-6-14(7-10-18)20-15-11-13(5-8-17-15)16(2,3)4;1-11(20)19-7-5-12(6-8-19)18-14-9-13(15(2,3)4)16-10-17-14;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;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;1-14(2,3)13-7-12(8-15-9-13)6-11-4-5-16-10-11;1-13(2,3)12-7-11(15-9-16-12)6-10-4-5-14-8-10/h4,7,10,13H,5-6,8-9,11H2,1-3H3;5,8,11,14H,6-7,9-10H2,1-4H3;9-10,12H,5-8H2,1-4H3,(H,16,17,18);8,10,12H,5-7,9H2,1-4H3;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;7-9,11H,4-6,10H2,1-3H3;7,9-10,14H,4-6,8H2,1-3H3
• InChIKey: HOFDGQBDIDZXIB-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 345.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.35
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (CID 158538329) 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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is CC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(CC2CCNC2)ncn1.CC(C)(C)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(OC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2CCOC2)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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?

The InChIKey is HOFDGQBDIDZXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.C16H24N2O2.C15H24N4O.C15H23N3O.C15H25N3.C15H24N2O3S.C15H24N2O.C14H21NO.C13H21N3/c1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;1-12(19)18-9-6-14(7-10-18)20-15-11-13(5-8-17-15)16(2,3)4;1-11(20)19-7-5-12(6-8-19)18-14-9-13(15(2,3)4)16-10-17-14;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;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;1-14(2,3)13-7-12(8-15-9-13)6-11-4-5-16-10-11;1-13(2,3)12-7-11(15-9-16-12)6-10-4-5-14-8-10/h4,7,10,13H,5-6,8-9,11H2,1-3H3;5,8,11,14H,6-7,9-10H2,1-4H3;9-10,12H,5-8H2,1-4H3,(H,16,17,18);8,10,12H,5-7,9H2,1-4H3;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;7-9,11H,4-6,10H2,1-3H3;7,9-10,14H,4-6,8H2,1-3H3.

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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine has a molecular weight of 2377.35 g/mol, XLogP of 23.51, 20 rotatable bonds, 2 hydrogen bond donors, and 28 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-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 158538329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).