tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride

C97H142Cl2N24O17S — CID 167592366

About tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride

tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride (PubChem CID 167592366) has the molecular formula C97H142Cl2N24O17S and a molecular weight of 2044.48 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride
• PubChem CID: 167592366
• Molecular Formula: C97H142Cl2N24O17S
• Molecular Weight: 2044.48 g/mol
• Exact Mass: 2042.17
• IUPAC Name: tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride
• SMILES: CN(CCN1CCN(c2ccc(O)cc2)CC1)C(=O)OC(C)(C)C.Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.[2H]C([2H])(OC)C([2H])([2H])OS(=O)(=O)c1ccc(C)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCNC)CC2)cc1
• InChI: InChI=1S/C24H31N9O3.C21H35N3O4.C18H29N3O3.C16H27N3O2.C10H14O4S.C8H5ClN6O.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;1-21(2,3)28-20(25)22(4)10-11-23-12-14-24(15-13-23)18-6-8-19(9-7-18)27-17-16-26-5;1-18(2,3)24-17(23)19(4)9-10-20-11-13-21(14-12-20)15-5-7-16(22)8-6-15;1-17-7-8-18-9-11-19(12-10-18)15-3-5-16(6-4-15)21-14-13-20-2;1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,10-17H2,1-5H3;5-8,22H,9-14H2,1-4H3;3-6,17H,7-14H2,1-2H3;3-6H,7-8H2,1-2H3;1-3H,(H2,10,12);1H/i2D3,15D2,16D2;5D3,16D2,17D2;;2D3,13D2,14D2;7D2,8D2
• InChIKey: VMLBXGGDGVYRRM-AFYLBYJGSA-N
• XLogP: 10.56
• TPSA: 418.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.48
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride?

The IUPAC name of tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride (CID 167592366) is tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride.

What is the SMILES notation for tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride?

The canonical SMILES for tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride is CN(CCN1CCN(c2ccc(O)cc2)CC1)C(=O)OC(C)(C)C.Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.[2H]C([2H])(OC)C([2H])([2H])OS(=O)(=O)c1ccc(C)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1ccc(N2CCN(CCNC)CC2)cc1.

What is the InChIKey of tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride?

The InChIKey is VMLBXGGDGVYRRM-AFYLBYJGSA-N. The full InChI is InChI=1S/C24H31N9O3.C21H35N3O4.C18H29N3O3.C16H27N3O2.C10H14O4S.C8H5ClN6O.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;1-21(2,3)28-20(25)22(4)10-11-23-12-14-24(15-13-23)18-6-8-19(9-7-18)27-17-16-26-5;1-18(2,3)24-17(23)19(4)9-10-20-11-13-21(14-12-20)15-5-7-16(22)8-6-15;1-17-7-8-18-9-11-19(12-10-18)15-3-5-16(6-4-15)21-14-13-20-2;1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,10-17H2,1-5H3;5-8,22H,9-14H2,1-4H3;3-6,17H,7-14H2,1-2H3;3-6H,7-8H2,1-2H3;1-3H,(H2,10,12);1H/i2D3,15D2,16D2;5D3,16D2,17D2;;2D3,13D2,14D2;7D2,8D2;;.

What are the key properties of tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride?

tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride has a molecular weight of 2044.48 g/mol, XLogP of 10.56, 39 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;N-methyl-2-[4-[4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethanamine;(1,1,2,2-tetradeuterio-2-methoxyethyl) 4-methylbenzenesulfonate;hydrochloride is sourced from PubChem (CID 167592366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).