4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C134H213N23O14S3 — CID 158455086

About 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 158455086) has the molecular formula C134H213N23O14S3 and a molecular weight of 2466.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
• PubChem CID: 158455086
• Molecular Formula: C134H213N23O14S3
• Molecular Weight: 2466.53 g/mol
• Exact Mass: 2464.58
• IUPAC Name: 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
• SMILES: CC(=O)N(C)CCN(C)c1cc(C(C)(C)C)ccn1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC[C@@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(CCc2cc(C(C)(C)C)ccn2)CC1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1
• InChI: InChI=1S/C17H28N2.C17H25NO.C15H23N3O2.C15H25N3O.C15H24N2O3S.C15H24N2O.C14H23N3O3S.C13H20N4O.C13H21N3O2S/c1-17(2,3)15-7-10-18-16(13-15)6-5-14-8-11-19(4)12-9-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-12(19)17(5)9-10-18(6)14-11-13(7-8-16-14)15(2,3)4;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;9-10,12H,5-8H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3/t;15-;;;;;;;/m.0......./s1
• InChIKey: HELYBSRBDKJGNH-RNPYQVERSA-N
• XLogP: 20.74
• TPSA: 406.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.53
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?

The IUPAC name of 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 158455086) is 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

What is the SMILES notation for 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?

The canonical SMILES for 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is CC(=O)N(C)CCN(C)c1cc(C(C)(C)C)ccn1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC[C@@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(CCc2cc(C(C)(C)C)ccn2)CC1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1.

What is the InChIKey of 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?

The InChIKey is HELYBSRBDKJGNH-RNPYQVERSA-N. The full InChI is InChI=1S/C17H28N2.C17H25NO.C15H23N3O2.C15H25N3O.C15H24N2O3S.C15H24N2O.C14H23N3O3S.C13H20N4O.C13H21N3O2S/c1-17(2,3)15-7-10-18-16(13-15)6-5-14-8-11-19(4)12-9-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-12(19)17(5)9-10-18(6)14-11-13(7-8-16-14)15(2,3)4;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;9-10,12H,5-8H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3/t;15-;;;;;;;/m.0......./s1.

What are the key properties of 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?

4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 2466.53 g/mol, XLogP of 20.74, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 158455086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).