7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)

C101H122F12N24O15 — CID 160843115

IUPAC7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCCCC2)nc2nc(N(C)CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(N3CCCC(C(=O)OCC)C3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCc3ccc(OC)cc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H30N6O.C23H32N6O3.C23H28N6O2.C23H28N6O.4C2HF3O2/c1-4-5-17-30-20-21(26-24(30)29-15-10-7-11-16-29)25-23(28(3)22(20)31)27(2)18-14-19-12-8-6-9-13-19;1-4-6-15-29-18-19(25-23(29)27-12-8-7-9-13-27)24-22(26(3)20(18)30)28-14-10-11-17(16-28)21(31)32-5-2;1-4-5-15-29-19-20(26-23(29)28-13-7-6-8-14-28)25-22(27(2)21(19)30)24-16-17-9-11-18(31-3)12-10-17;1-3-4-17-29-19-20(26-23(29)28-15-9-6-10-16-28)25-22(27(2)21(19)30)24-14-13-18-11-7-5-8-12-18;4*3-2(4,5)1(6)7/h6,8-9,12-13H,7,10-11,14-18H2,1-3H3;17H,5,7-16H2,1-3H3;9-12H,6-8,13-16H2,1-3H3,(H,24,25);5,7-8,11-12H,6,9-10,13-17H2,1-2H3,(H,24,25);4*(H,6,7)
InChIKeySSQAERNYRJWUGV-UHFFFAOYSA-N
MW2140.22 g/mol
LogP12.84
Rot. Bonds23

About 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)

7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 160843115) has the molecular formula C101H122F12N24O15 and a molecular weight of 2140.22 g/mol. Its IUPAC name is 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID160843115
Molecular FormulaC101H122F12N24O15
Molecular Weight2140.22 g/mol
Exact Mass2138.93
IUPAC Name7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCCCC2)nc2nc(N(C)CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(N3CCCC(C(=O)OCC)C3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCc3ccc(OC)cc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H30N6O.C23H32N6O3.C23H28N6O2.C23H28N6O.4C2HF3O2/c1-4-5-17-30-20-21(26-24(30)29-15-10-7-11-16-29)25-23(28(3)22(20)31)27(2)18-14-19-12-8-6-9-13-19;1-4-6-15-29-18-19(25-23(29)27-12-8-7-9-13-27)24-22(26(3)20(18)30)28-14-10-11-17(16-28)21(31)32-5-2;1-4-5-15-29-19-20(26-23(29)28-13-7-6-8-14-28)25-22(27(2)21(19)30)24-16-17-9-11-18(31-3)12-10-17;1-3-4-17-29-19-20(26-23(29)28-15-9-6-10-16-28)25-22(27(2)21(19)30)24-14-13-18-11-7-5-8-12-18;4*3-2(4,5)1(6)7/h6,8-9,12-13H,7,10-11,14-18H2,1-3H3;17H,5,7-16H2,1-3H3;9-12H,6-8,13-16H2,1-3H3,(H,24,25);5,7-8,11-12H,6,9-10,13-17H2,1-2H3,(H,24,25);4*(H,6,7)
InChIKeySSQAERNYRJWUGV-UHFFFAOYSA-N
XLogP12.84
TPSA439.07 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.22
LogP ≤ 512.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

3-Benzyl-5-methyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-5-phenacyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-5-(2-phenoxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-5-(2-phenylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157175650
8-(3-aminopiperidin-1-yl)-2-tert-butylsulfanyl-7-but-2-ynyl-1-methylpurin-6-one;8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-(diethylamino)-1H-purin-6-one;8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-isocyano-1-methylpurin-6-one;8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1H-purin-6-one;2-[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurin-2-yl]oxybenzamide;pentakis(2,2,2-trifluoroacetic acid)
CID 158000674
tert-butyl 4-[1-but-2-ynyl-5-carbamoyl-4-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]imidazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-but-2-ynyl-4-oxo-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;3-but-2-ynyl-5-(2-phenoxyethyl)-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one;3-but-2-ynyl-5-(2-phenylethyl)-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one;tris(2,2,2-trifluoroacetic acid)
CID 158102320
2-(3-Benzyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetonitrile;3-benzyl-5-(2-phenoxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-5-(2-phenylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-2-piperazin-1-yl-5-prop-2-ynylimidazo[4,5-d]pyridazin-4-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 158246690
7-But-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperazin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
CID 158511499
7-but-2-ynyl-2,2-bis(isocyanomethyl)-1-methyl-8-piperidin-1-yl-3H-purin-6-one;7-but-2-ynyl-2-(isocyanomethyl)-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[2-(morpholine-4-carbonyl)phenoxy]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperidin-1-yl-2-[2-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 158622877
7-but-2-ynyl-2,2-bis(isocyanomethyl)-1-methyl-8-piperazin-1-yl-3H-purin-6-one;7-but-2-ynyl-2-(isocyanomethyl)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[2-(morpholine-4-carbonyl)phenoxy]-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[2-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159031296
7-But-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(3-methoxyphenoxy)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-methylphenoxy)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(4-methylphenoxy)-8-piperazin-1-ylpurin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159529193
3-But-2-ynyl-5-(2-hydroxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-(2-methoxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-(2-phenoxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-(2-phenylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;ethyl 2-(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
CID 159662462
7-but-2-ynyl-2-(2,6-difluorophenoxy)-1-methyl-8-piperazin-1-ylpurin-6-one;2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-N-(2-piperidin-1-ylethyl)benzamide;7-but-2-ynyl-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159931302
2-Benzyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
CID 160066924
8-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione;8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione;7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione;7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]purine-2,6-dione;7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-[(4-prop-1-en-2-ylphenyl)methyl]piperazin-1-yl]purine-2,6-dione;methyl 4-[[8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-methyl-2,6-dioxopurin-7-yl]methyl]-3-fluorobenzoate
CID 160223689

Frequently Asked Questions

What is the IUPAC name of 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) (CID 160843115) is 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) is CC#CCn1c(N2CCCCC2)nc2nc(N(C)CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(N3CCCC(C(=O)OCC)C3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(NCc3ccc(OC)cc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is SSQAERNYRJWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O.C23H32N6O3.C23H28N6O2.C23H28N6O.4C2HF3O2/c1-4-5-17-30-20-21(26-24(30)29-15-10-7-11-16-29)25-23(28(3)22(20)31)27(2)18-14-19-12-8-6-9-13-19;1-4-6-15-29-18-19(25-23(29)27-12-8-7-9-13-27)24-22(26(3)20(18)30)28-14-10-11-17(16-28)21(31)32-5-2;1-4-5-15-29-19-20(26-23(29)28-13-7-6-8-14-28)25-22(27(2)21(19)30)24-16-17-9-11-18(31-3)12-10-17;1-3-4-17-29-19-20(26-23(29)28-15-9-6-10-16-28)25-22(27(2)21(19)30)24-14-13-18-11-7-5-8-12-18;4*3-2(4,5)1(6)7/h6,8-9,12-13H,7,10-11,14-18H2,1-3H3;17H,5,7-16H2,1-3H3;9-12H,6-8,13-16H2,1-3H3,(H,24,25);5,7-8,11-12H,6,9-10,13-17H2,1-2H3,(H,24,25);4*(H,6,7).
What are the key properties of 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)?
7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2140.22 g/mol, XLogP of 12.84, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-[methyl(2-phenylethyl)amino]-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethylamino)-8-piperidin-1-ylpurin-6-one;ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 160843115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).