3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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

C122H186F6N16O10S2 — CID 158358838

IUPAC3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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
SMILESCC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.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(CC2COC2)c1
InChIInChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C14H23N3O3S.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;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;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;9-11H,5-8H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
InChIKeyGTFJKXQVEVMMKP-UHFFFAOYSA-N
MW2215.05 g/mol
LogP23.27
Rot. Bonds20

About 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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

3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 158358838) has the molecular formula C122H186F6N16O10S2 and a molecular weight of 2215.05 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 Name3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 CID158358838
Molecular FormulaC122H186F6N16O10S2
Molecular Weight2215.05 g/mol
Exact Mass2213.39
IUPAC Name3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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
SMILESCC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.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(CC2COC2)c1
InChIInChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C14H23N3O3S.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;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;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;9-11H,5-8H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
InChIKeyGTFJKXQVEVMMKP-UHFFFAOYSA-N
XLogP23.27
TPSA286.82 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002215.05
LogP ≤ 523.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 with MolForge

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Related Compounds

ethyl (2R,4S)-4-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 87547283
Tert-butyl 4-[[4-cyano-6-[2-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3-pyridinyl]oxy]-3,3-difluoropiperidine-1-carboxylate
CID 142561826
1-[(3S)-3-[4-[[4-methyl-6-[6-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxy-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrido[3,2-d]pyrimidin-8-yl]-2-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532238
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157167560
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;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 157333860
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine;1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;tetrakis(2-methylpropane);3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 157366231
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;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(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 157377566
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide
CID 157440087
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 157448005
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157471433
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;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;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 158358838) is 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.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(CC2COC2)c1.
What is the InChIKey of 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 GTFJKXQVEVMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C14H23N3O3S.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;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;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;9-11H,5-8H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3.
What are the key properties of 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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?
3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 2215.05 g/mol, XLogP of 23.27, 20 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;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 158358838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).