tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride

C144H187BBrCl7N32O18S — CID 157188379

About tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride

tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 157188379) has the molecular formula C144H187BBrCl7N32O18S and a molecular weight of 3025.24 g/mol. Its IUPAC name is tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 157188379
• Molecular Formula: C144H187BBrCl7N32O18S
• Molecular Weight: 3025.24 g/mol
• Exact Mass: 3019.15
• IUPAC Name: tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: C.C.CC(C)(C)OC(=O)N1CCN(CCBr)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(-c4cccc(OCc5ccccc5)c4)nc(Cl)nc32)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(-c4cccc(OCc5ccccc5)c4)nc(N4CCOCC4)nc32)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(Cl)nc(Cl)nc32)CC1.CC1(C)OB(c2cccc(OCc3ccccc3)c2)OC1(C)C.CS(=O)(=O)Cl.Cl.Clc1nc(Cl)c2[nH]cnc2n1.c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4CCN3CCNCC3)c2)cc1
• InChI: InChI=1S/C33H41N7O4.C29H33ClN6O3.C28H33N7O2.C19H23BO3.C16H22Cl2N6O2.C11H21BrN2O2.C5H2Cl2N4.CH3ClO2S.2CH4.ClH/c1-33(2,3)44-32(41)39-15-12-37(13-16-39)14-17-40-24-34-29-28(35-31(36-30(29)40)38-18-20-42-21-19-38)26-10-7-11-27(22-26)43-23-25-8-5-4-6-9-25;1-29(2,3)39-28(37)35-15-12-34(13-16-35)14-17-36-20-31-25-24(32-27(30)33-26(25)36)22-10-7-11-23(18-22)38-19-21-8-5-4-6-9-21;1-2-5-22(6-3-1)20-37-24-8-4-7-23(19-24)25-26-27(32-28(31-25)34-15-17-36-18-16-34)35(21-30-26)14-13-33-11-9-29-10-12-33;1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15;1-16(2,3)26-15(25)23-7-4-22(5-8-23)6-9-24-10-19-11-12(17)20-14(18)21-13(11)24;1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4;;;/h4-11,22,24H,12-21,23H2,1-3H3;4-11,18,20H,12-17,19H2,1-3H3;1-8,19,21,29H,9-18,20H2;5-13H,14H2,1-4H3;10H,4-9H2,1-3H3;4-9H2,1-3H3;1H,(H,8,9,10,11);1H3;2*1H4;1H
• InChIKey: QEBHRUOKQBEODT-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 489.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3025.24
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride (CID 157188379) is tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride is C.C.CC(C)(C)OC(=O)N1CCN(CCBr)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(-c4cccc(OCc5ccccc5)c4)nc(Cl)nc32)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(-c4cccc(OCc5ccccc5)c4)nc(N4CCOCC4)nc32)CC1.CC(C)(C)OC(=O)N1CCN(CCn2cnc3c(Cl)nc(Cl)nc32)CC1.CC1(C)OB(c2cccc(OCc3ccccc3)c2)OC1(C)C.CS(=O)(=O)Cl.Cl.Clc1nc(Cl)c2[nH]cnc2n1.c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4CCN3CCNCC3)c2)cc1.

What is the InChIKey of tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is QEBHRUOKQBEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N7O4.C29H33ClN6O3.C28H33N7O2.C19H23BO3.C16H22Cl2N6O2.C11H21BrN2O2.C5H2Cl2N4.CH3ClO2S.2CH4.ClH/c1-33(2,3)44-32(41)39-15-12-37(13-16-39)14-17-40-24-34-29-28(35-31(36-30(29)40)38-18-20-42-21-19-38)26-10-7-11-27(22-26)43-23-25-8-5-4-6-9-25;1-29(2,3)39-28(37)35-15-12-34(13-16-35)14-17-36-20-31-25-24(32-27(30)33-26(25)36)22-10-7-11-23(18-22)38-19-21-8-5-4-6-9-21;1-2-5-22(6-3-1)20-37-24-8-4-7-23(19-24)25-26-27(32-28(31-25)34-15-17-36-18-16-34)35(21-30-26)14-13-33-11-9-29-10-12-33;1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15;1-16(2,3)26-15(25)23-7-4-22(5-8-23)6-9-24-10-19-11-12(17)20-14(18)21-13(11)24;1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4;;;/h4-11,22,24H,12-21,23H2,1-3H3;4-11,18,20H,12-17,19H2,1-3H3;1-8,19,21,29H,9-18,20H2;5-13H,14H2,1-4H3;10H,4-9H2,1-3H3;4-9H2,1-3H3;1H,(H,8,9,10,11);1H3;2*1H4;1H.

What are the key properties of tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride?

tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 3025.24 g/mol, XLogP of 24.28, 32 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;tert-butyl 4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]piperazine-1-carboxylate;2,6-dichloro-7H-purine;methane;methanesulfonyl chloride;4-[6-(3-phenylmethoxyphenyl)-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 157188379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).