1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine

C161H249F6N15O7S — CID 159637698

IUPAC1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCOC2)c1.CN(C)CCNc1cc(C(C)(C)C)ccn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1.C[C@H]1COCCC1Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H26F3N.C17H25F3N2.C17H26N2O.C17H27NO2S.2C17H26O.C16H26N2.C15H23N3O.C14H21NO.C13H23N3/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;2*1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-14(2,3)13-7-12(8-15-9-13)6-11-4-5-16-10-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)5/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;2*5-7,11,13,15H,8-10,12H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;7-9,11H,4-6,10H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15)/t;;;;2*13-,15?;;;;/m....10..../s1
InChIKeyMPYJMLWCFBNXHJ-SZWGYXDRSA-N
MW2652.92 g/mol
LogP34.76
Rot. Bonds25

About 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine (PubChem CID 159637698) has the molecular formula C161H249F6N15O7S and a molecular weight of 2652.92 g/mol. Its IUPAC name is 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
PubChem CID159637698
Molecular FormulaC161H249F6N15O7S
Molecular Weight2652.92 g/mol
Exact Mass2650.92
IUPAC Name1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCOC2)c1.CN(C)CCNc1cc(C(C)(C)C)ccn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1.C[C@H]1COCCC1Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H26F3N.C17H25F3N2.C17H26N2O.C17H27NO2S.2C17H26O.C16H26N2.C15H23N3O.C14H21NO.C13H23N3/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;2*1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-14(2,3)13-7-12(8-15-9-13)6-11-4-5-16-10-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)5/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;2*5-7,11,13,15H,8-10,12H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;7-9,11H,4-6,10H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15)/t;;;;2*13-,15?;;;;/m....10..../s1
InChIKeyMPYJMLWCFBNXHJ-SZWGYXDRSA-N
XLogP34.76
TPSA220.05 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002652.92
LogP ≤ 534.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157914188
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158054056
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-(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 158449583
4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158581502
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;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 158772126
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158957392
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159161545
4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;3-(4-tert-butyl-2-pyridinyl)-N,N-dimethylpropan-1-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]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]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159507248
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 160026667
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;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;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 160295493
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-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]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 160523651
cyclopropyl-[4-[2-[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]piperidin-1-yl]methanone;N-cyclopropyl-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-fluoro-2-[(6-methylsulfonyl-6-azaspiro[2.5]octan-2-yl)methyl]pyridin-4-amine;4-N-cyclopropyl-4-N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160877631

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine?
The IUPAC name of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine (CID 159637698) is 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine is CC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCOC2)c1.CN(C)CCNc1cc(C(C)(C)C)ccn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cccc(C(C)(C)C)c1.C[C@H]1COCCC1Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine?
The InChIKey is MPYJMLWCFBNXHJ-SZWGYXDRSA-N. The full InChI is InChI=1S/C18H26F3N.C17H25F3N2.C17H26N2O.C17H27NO2S.2C17H26O.C16H26N2.C15H23N3O.C14H21NO.C13H23N3/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;2*1-13-12-18-9-8-15(13)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-14(2,3)13-7-12(8-15-9-13)6-11-4-5-16-10-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)5/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;2*5-7,11,13,15H,8-10,12H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;7-9,11H,4-6,10H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15)/t;;;;2*13-,15?;;;;/m....10..../s1.
What are the key properties of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine?
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine has a molecular weight of 2652.92 g/mol, XLogP of 34.76, 25 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 159637698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).