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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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

C167H259F3N24O13S — CID 158333276

IUPAC4-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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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
SMILESCC(=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(=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.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H26O.C16H23F3N2O.2C16H24N2O2.C15H24N4O.C15H23N3O.C15H25N3.C15H24N2O3S.C15H24N2O.C14H21NO.C13H21N3/c1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;2*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/h5-7,11,13,15H,8-10,12H2,1-4H3;4,7,10,13H,5-6,8-9,11H2,1-3H3;2*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/t13-,15?;;;;;;;;;;/m1........../s1
InChIKeyGQGPJWYKIJHWOG-CKSKHAGYSA-N
MW2900.12 g/mol
LogP30.48
Rot. Bonds24

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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 158333276) has the molecular formula C167H259F3N24O13S and a molecular weight of 2900.12 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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 Name4-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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 CID158333276
Molecular FormulaC167H259F3N24O13S
Molecular Weight2900.12 g/mol
Exact Mass2898.00
IUPAC Name4-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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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
SMILESCC(=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(=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.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H26O.C16H23F3N2O.2C16H24N2O2.C15H24N4O.C15H23N3O.C15H25N3.C15H24N2O3S.C15H24N2O.C14H21NO.C13H21N3/c1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;2*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/h5-7,11,13,15H,8-10,12H2,1-4H3;4,7,10,13H,5-6,8-9,11H2,1-3H3;2*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/t13-,15?;;;;;;;;;;/m1........../s1
InChIKeyGQGPJWYKIJHWOG-CKSKHAGYSA-N
XLogP30.48
TPSA397.47 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.12
LogP ≤ 530.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 with MolForge

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Related Compounds

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;bis(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 158867438
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158703441
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
2-tert-butyl-4-fluoro-1H-indene;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-methylsulfonylpiperidin-4-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-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 158260400
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
CID 158436827
3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;4-(3-tert-butyl-4-methylphenyl)oxane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159695238
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 158067148
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 159526756
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 162070568

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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 158333276) 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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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(=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.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1.
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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 GQGPJWYKIJHWOG-CKSKHAGYSA-N. The full InChI is InChI=1S/C17H26O.C16H23F3N2O.2C16H24N2O2.C15H24N4O.C15H23N3O.C15H25N3.C15H24N2O3S.C15H24N2O.C14H21NO.C13H21N3/c1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)12-4-7-20-14(10-12)22-13-5-8-21(9-6-13)11-16(17,18)19;2*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/h5-7,11,13,15H,8-10,12H2,1-4H3;4,7,10,13H,5-6,8-9,11H2,1-3H3;2*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/t13-,15?;;;;;;;;;;/m1........../s1.
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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 2900.12 g/mol, XLogP of 30.48, 24 rotatable bonds, 2 hydrogen bond donors, and 32 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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(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 158333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).