N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol

C104H102F18N32O8 — CID 159372574

IUPACN-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
SMILESCNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1.FC(F)(F)c1ccccc1OC1CCN(c2ncnc3nc[nH]c23)CC1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.O=c1[nH]c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.OCc1nc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)ncc2[nH]1
InChIInChI=1S/C18H19F3N6O.C18H18F3N5O2.C17H17F3N6O.C17H16F3N5O2.2C17H16F3N5O/c1-22-15-14-16(24-10-23-14)26-17(25-15)27-8-6-11(7-9-27)28-13-5-3-2-4-12(13)18(19,20)21;19-18(20,21)12-3-1-2-4-14(12)28-11-5-7-26(8-6-11)17-22-9-13-16(25-17)24-15(10-27)23-13;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-25(8-6-10)16-23-14-13(15(26)24-16)21-9-22-14;18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13;18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-25(8-6-11)16-14-15(22-9-21-14)23-10-24-16/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,25,26);1-4,9,11,27H,5-8,10H2,(H,22,23,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23,24,26);2*1-4,9-11H,5-8H2,(H,21,22,23,24)
InChIKeyLJXQYWCEHILLER-UHFFFAOYSA-N
MW2270.14 g/mol
LogP18.93
Rot. Bonds20

About N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol

N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol (PubChem CID 159372574) has the molecular formula C104H102F18N32O8 and a molecular weight of 2270.14 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
PubChem CID159372574
Molecular FormulaC104H102F18N32O8
Molecular Weight2270.14 g/mol
Exact Mass2268.83
IUPAC NameN-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
SMILESCNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1.FC(F)(F)c1ccccc1OC1CCN(c2ncnc3nc[nH]c23)CC1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.O=c1[nH]c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.OCc1nc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)ncc2[nH]1
InChIInChI=1S/C18H19F3N6O.C18H18F3N5O2.C17H17F3N6O.C17H16F3N5O2.2C17H16F3N5O/c1-22-15-14-16(24-10-23-14)26-17(25-15)27-8-6-11(7-9-27)28-13-5-3-2-4-12(13)18(19,20)21;19-18(20,21)12-3-1-2-4-14(12)28-11-5-7-26(8-6-11)17-22-9-13-16(25-17)24-15(10-27)23-13;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-25(8-6-10)16-23-14-13(15(26)24-16)21-9-22-14;18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13;18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-25(8-6-11)16-14-15(22-9-21-14)23-10-24-16/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,25,26);1-4,9,11,27H,5-8,10H2,(H,22,23,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23,24,26);2*1-4,9-11H,5-8H2,(H,21,22,23,24)
InChIKeyLJXQYWCEHILLER-UHFFFAOYSA-N
XLogP18.93
TPSA479.83 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002270.14
LogP ≤ 518.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol with MolForge

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-methyl-2-pyridin-2-yloxyimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-methyl-2-pyridin-3-yloxyimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-methyl-2-pyridin-4-yloxyimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 157103535
N-(1-cyclopropylethyl)-2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158604275
carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 176527055
2-(2-Ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one
CID 157083316
(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(8S)-8-butan-2-yl-7-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[6-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-(5-butyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 157194001
(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(8S)-8-butan-2-yl-7-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 157253040
2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;4-tert-butyl-N-(4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-2-yl)benzamide;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-(2-phenoxyethoxy)-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
CID 158000679
2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
CID 158353089
2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
CID 158626657
5-benzyl-N-butyl-6-fluoro-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-4-N-butyl-7-fluoropyrrolo[3,2-d]pyrimidine-2,4-diamine;(3S)-3-[[5-(cyclohexylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[5-[(2-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[2-methyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-methyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 159111423
(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 159811674
(3R)-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(3R,11S)-16-ethyl-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(3R,11S)-6-fluoro-3,11-dimethyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4(9),5,7,15,18,21-heptaene;(3S,11S)-6-fluoro-3-(isocyanomethyl)-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-3-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene
CID 160379553

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol?
The IUPAC name of N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol (CID 159372574) is N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol.
What is the SMILES notation for N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol?
The canonical SMILES for N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol is CNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1.FC(F)(F)c1ccccc1OC1CCN(c2ncnc3nc[nH]c23)CC1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.O=c1[nH]c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2nc[nH]c12.OCc1nc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)ncc2[nH]1.
What is the InChIKey of N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol?
The InChIKey is LJXQYWCEHILLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O.C18H18F3N5O2.C17H17F3N6O.C17H16F3N5O2.2C17H16F3N5O/c1-22-15-14-16(24-10-23-14)26-17(25-15)27-8-6-11(7-9-27)28-13-5-3-2-4-12(13)18(19,20)21;19-18(20,21)12-3-1-2-4-14(12)28-11-5-7-26(8-6-11)17-22-9-13-16(25-17)24-15(10-27)23-13;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-25(8-6-10)16-23-14-13(15(26)24-16)21-9-22-14;18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13;18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-25(8-6-11)16-14-15(22-9-21-14)23-10-24-16/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,25,26);1-4,9,11,27H,5-8,10H2,(H,22,23,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23,24,26);2*1-4,9-11H,5-8H2,(H,21,22,23,24).
What are the key properties of N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol?
N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol has a molecular weight of 2270.14 g/mol, XLogP of 18.93, 20 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol is sourced from PubChem (CID 159372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).