2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride

C172H262Br3Cl3N34O25S — CID 167636280

About 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride

2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride (PubChem CID 167636280) has the molecular formula C172H262Br3Cl3N34O25S and a molecular weight of 3596.41 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride
• PubChem CID: 167636280
• Molecular Formula: C172H262Br3Cl3N34O25S
• Molecular Weight: 3596.41 g/mol
• Exact Mass: 3589.74
• IUPAC Name: 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.CCCOc1ccc(Br)cc1.CCCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCCOc1ccc(N2CCN(CC(=O)OCC)CC2)cc1.CCCOc1ccc(N2CCN(CCO)CC2)cc1.CCCOc1ccc(N2CCNCC2)cc1.CCCOc1ccc(N2CCNCC2)cc1.CCOC(=O)CBr.CS(=O)(=O)Cl.Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.OCCOc1ccc(Br)cc1.[2H]C([2H])([2H])N.[2H]C([2H])([2H])N(CCN1CCN(c2ccc(OCCOC)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.[2H]C([2H])([2H])NCCN1CCN(c2ccc(OCCC)cc2)CC1.[2H]C([2H])([2H])NCCN1CCN(c2ccc(OCCC)cc2)CC1
• InChI: InChI=1S/C24H31N9O3.C18H28N2O3.C17H26N2O3.2C16H27N3O.C15H24N2O2.2C13H20N2O.C9H11BrO.C9H18N2O2.C8H9BrO2.C8H5ClN6O.C4H7BrO2.CH3ClO2S.CH5N.ClH/c1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-5-14-22-16-8-6-15(7-9-16)19-10-12-20(13-11-19)17(21)23-18(2,3)4;1-3-13-22-16-7-5-15(6-8-16)19-11-9-18(10-12-19)14-17(20)21-4-2;2*1-3-14-20-16-6-4-15(5-7-16)19-12-10-18(11-13-19)9-8-17-2;1-2-13-19-15-5-3-14(4-6-15)17-9-7-16(8-10-17)11-12-18;2*1-2-11-16-13-5-3-12(4-6-13)15-9-7-14-8-10-15;1-2-7-11-9-5-3-8(10)4-6-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-7-1-3-8(4-2-7)11-6-5-10;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-2-7-4(6)3-5;1-5(2,3)4;1-2;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,5,10-14H2,1-4H3;5-8H,3-4,9-14H2,1-2H3;2*4-7,17H,3,8-14H2,1-2H3;3-6,18H,2,7-13H2,1H3;2*3-6,14H,2,7-11H2,1H3;3-6H,2,7H2,1H3;10H,4-7H2,1-3H3;1-4,10H,5-6H2;1-3H,(H2,10,12);2-3H2,1H3;1H3;2H2,1H3;1H/i1D3;;;2*2D3;;;;;;;;;;1D3
• InChIKey: DENPXNPWUYKWGF-IAFYNHMJSA-N
• XLogP: 24.36
• TPSA: 609.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 57
• Rotatable Bonds: 61
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3596.41
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride?

The IUPAC name of 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride (CID 167636280) is 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride.

What is the SMILES notation for 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride?

The canonical SMILES for 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride is CC(C)(C)OC(=O)N1CCNCC1.CCCOc1ccc(Br)cc1.CCCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCCOc1ccc(N2CCN(CC(=O)OCC)CC2)cc1.CCCOc1ccc(N2CCN(CCO)CC2)cc1.CCCOc1ccc(N2CCNCC2)cc1.CCCOc1ccc(N2CCNCC2)cc1.CCOC(=O)CBr.CS(=O)(=O)Cl.Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.OCCOc1ccc(Br)cc1.[2H]C([2H])([2H])N.[2H]C([2H])([2H])N(CCN1CCN(c2ccc(OCCOC)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.[2H]C([2H])([2H])NCCN1CCN(c2ccc(OCCC)cc2)CC1.[2H]C([2H])([2H])NCCN1CCN(c2ccc(OCCC)cc2)CC1.

What is the InChIKey of 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride?

The InChIKey is DENPXNPWUYKWGF-IAFYNHMJSA-N. The full InChI is InChI=1S/C24H31N9O3.C18H28N2O3.C17H26N2O3.2C16H27N3O.C15H24N2O2.2C13H20N2O.C9H11BrO.C9H18N2O2.C8H9BrO2.C8H5ClN6O.C4H7BrO2.CH3ClO2S.CH5N.ClH/c1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-5-14-22-16-8-6-15(7-9-16)19-10-12-20(13-11-19)17(21)23-18(2,3)4;1-3-13-22-16-7-5-15(6-8-16)19-11-9-18(10-12-19)14-17(20)21-4-2;2*1-3-14-20-16-6-4-15(5-7-16)19-12-10-18(11-13-19)9-8-17-2;1-2-13-19-15-5-3-14(4-6-15)17-9-7-16(8-10-17)11-12-18;2*1-2-11-16-13-5-3-12(4-6-13)15-9-7-14-8-10-15;1-2-7-11-9-5-3-8(10)4-6-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-7-1-3-8(4-2-7)11-6-5-10;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-2-7-4(6)3-5;1-5(2,3)4;1-2;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,5,10-14H2,1-4H3;5-8H,3-4,9-14H2,1-2H3;2*4-7,17H,3,8-14H2,1-2H3;3-6,18H,2,7-13H2,1H3;2*3-6,14H,2,7-11H2,1H3;3-6H,2,7H2,1H3;10H,4-7H2,1-3H3;1-4,10H,5-6H2;1-3H,(H2,10,12);2-3H2,1H3;1H3;2H2,1H3;1H/i1D3;;;2*2D3;;;;;;;;;;1D3;.

What are the key properties of 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride?

2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride has a molecular weight of 3596.41 g/mol, XLogP of 24.36, 61 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride is sourced from PubChem (CID 167636280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).