About 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine
3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine (PubChem CID 159350204) has the molecular formula C168H272N34S4
and a molecular weight of 2896.53 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine.
Frequently Asked Questions
What is the IUPAC name of 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The IUPAC name of 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine (CID 159350204) is 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine is C.C.C.C.C.C.C.C#CCN1CCC(c2ccc(C)cc2)CC1.C#CCN1[C@H](C)CN(c2cnc(C)cn2)C[C@@H]1C.CCN1CCN(c2ccc(C)s2)CC1.Cc1ccc(N2CC3CCCNC3C2)cc1.Cc1ccc(N2CCCC(C)(C)C2)s1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2CCCN(C)CC2)s1.Cc1ccc(N2C[C@H](C)C[C@H](C)C2)s1.Cc1cnc(C2=CCN(C)CC2)cn1.Cc1cnc(N2CCN(C)C(C)C2)nc1.Cc1cnc(N2CCN3CCCC3C2)nc1.Cc1cnc(N2CCN3CCCCC3C2)nc1.Cc1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)nc1.
What is the InChIKey of 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
The InChIKey is LHFNJJCEXCMXPL-LFERXLEOSA-N. The full InChI is InChI=1S/C15H19N.C14H20N4.C14H20N2.C13H20N4.C13H20N2.C12H18N4.C12H20N4.2C12H19NS.C11H18N4.C11H15N3.2C11H18N2S.7CH4/c1-3-10-16-11-8-15(9-12-16)14-6-4-13(2)5-7-14;1-5-6-18-12(3)9-17(10-13(18)4)14-8-15-11(2)7-16-14;1-11-4-6-13(7-5-11)16-9-12-3-2-8-15-14(12)10-16;1-11-8-14-13(15-9-11)17-7-6-16-5-3-2-4-12(16)10-17;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-10-7-13-12(14-8-10)16-6-5-15-4-2-3-11(15)9-16;1-9-5-13-12(14-6-9)16-7-10(2)15(4)11(3)8-16;1-10-5-6-11(14-10)13-8-4-7-12(2,3)9-13;1-9-6-10(2)8-13(7-9)12-5-4-11(3)14-12;1-9-6-12-11(13-7-9)15-5-4-14(3)10(2)8-15;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-10-4-5-11(14-10)13-7-3-6-12(2)8-9-13;1-3-12-6-8-13(9-7-12)11-5-4-10(2)14-11;;;;;;;/h1,4-7,15H,8-12H2,2H3;1,7-8,12-13H,6,9-10H2,2-4H3;4-7,12,14-15H,2-3,8-10H2,1H3;8-9,12H,2-7,10H2,1H3;4-7H,3,8-11H2,1-2H3;7-8,11H,2-6,9H2,1H3;5-6,10-11H,7-8H2,1-4H3;5-6H,4,7-9H2,1-3H3;4-5,9-10H,6-8H2,1-3H3;6-7,10H,4-5,8H2,1-3H3;3,7-8H,4-6H2,1-2H3;2*4-5H,3,6-9H2,1-2H3;7*1H4/t;12-,13+;;;;;10-,11+;;9-,10+;;;;;;;;;;;.
What are the key properties of 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine?
3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine has a molecular weight of 2896.53 g/mol, XLogP of 30.79, 16 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methylthiophen-2-yl)piperidine;(3S,5R)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;1-ethyl-4-(5-methylthiophen-2-yl)piperazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-(5-methylthiophen-2-yl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;4-(4-methylphenyl)-1-prop-2-ynylpiperidine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 159350204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).