magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide

C129H169AlBr2Cl3F4MgN13O15 — CID 159338471

About magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide

magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide (PubChem CID 159338471) has the molecular formula C129H169AlBr2Cl3F4MgN13O15 and a molecular weight of 2535.29 g/mol. Its IUPAC name is magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide.

Molecular Properties

• Compound Name: magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide
• PubChem CID: 159338471
• Molecular Formula: C129H169AlBr2Cl3F4MgN13O15
• Molecular Weight: 2535.29 g/mol
• Exact Mass: 2529.99
• IUPAC Name: magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide
• SMILES: CC.CC1(O)CCN(Cc2ccccc2)CC1.CC1(c2ccccc2)CCN(CCCN)CC1.CC1(c2ccccc2)CCN(Cc2ccccc2)CC1.CC1(c2ccccc2)CCNCC1.CCCCBr.COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1.COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)N1.Cl[Al](Cl)Cl.O=C1CCN(Cc2ccccc2)CC1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C30H36F2N4O5.C21H17F2N3O8.C19H23N.C15H24N2.C13H19NO.C12H15NO.C12H17N.C4H9Br.C2H6.CH3.Al.BrH.3ClH.Mg/c1-30(21-8-5-4-6-9-21)12-16-35(17-13-30)15-7-14-33-28(38)36-26(20-10-11-22(31)23(32)18-20)25(27(37)41-3)24(19-40-2)34-29(36)39;1-32-10-16-17(19(27)33-2)18(11-3-8-14(22)15(23)9-11)25(20(28)24-16)21(29)34-13-6-4-12(5-7-13)26(30)31;1-19(18-10-6-3-7-11-18)12-14-20(15-13-19)16-17-8-4-2-5-9-17;1-15(14-6-3-2-4-7-14)8-12-17(13-9-15)11-5-10-16;1-13(15)7-9-14(10-8-13)11-12-5-3-2-4-6-12;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-2-3-4-5;1-2;;;;;;;/h4-6,8-11,18,26H,7,12-17,19H2,1-3H3,(H,33,38)(H,34,39);3-9,18H,10H2,1-2H3,(H,24,28);2-11H,12-16H2,1H3;2-4,6-7H,5,8-13,16H2,1H3;2-6,15H,7-11H2,1H3;1-5H,6-10H2;2-6,13H,7-10H2,1H3;2-4H2,1H3;1-2H3;1H3;;4*1H;/q;;;;;;;;;-1;+3;;;;;+2/p-4
• InChIKey: HAWZPBUPPFZPLN-UHFFFAOYSA-J
• XLogP: 22.28
• TPSA: 325.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.29
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide?

The IUPAC name of magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide (CID 159338471) is magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide.

What is the SMILES notation for magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide?

The canonical SMILES for magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide is CC.CC1(O)CCN(Cc2ccccc2)CC1.CC1(c2ccccc2)CCN(CCCN)CC1.CC1(c2ccccc2)CCN(Cc2ccccc2)CC1.CC1(c2ccccc2)CCNCC1.CCCCBr.COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1.COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)N1.Cl[Al](Cl)Cl.O=C1CCN(Cc2ccccc2)CC1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide?

The InChIKey is HAWZPBUPPFZPLN-UHFFFAOYSA-J. The full InChI is InChI=1S/C30H36F2N4O5.C21H17F2N3O8.C19H23N.C15H24N2.C13H19NO.C12H15NO.C12H17N.C4H9Br.C2H6.CH3.Al.BrH.3ClH.Mg/c1-30(21-8-5-4-6-9-21)12-16-35(17-13-30)15-7-14-33-28(38)36-26(20-10-11-22(31)23(32)18-20)25(27(37)41-3)24(19-40-2)34-29(36)39;1-32-10-16-17(19(27)33-2)18(11-3-8-14(22)15(23)9-11)25(20(28)24-16)21(29)34-13-6-4-12(5-7-13)26(30)31;1-19(18-10-6-3-7-11-18)12-14-20(15-13-19)16-17-8-4-2-5-9-17;1-15(14-6-3-2-4-7-14)8-12-17(13-9-15)11-5-10-16;1-13(15)7-9-14(10-8-13)11-12-5-3-2-4-6-12;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-2-3-4-5;1-2;;;;;;;/h4-6,8-11,18,26H,7,12-17,19H2,1-3H3,(H,33,38)(H,34,39);3-9,18H,10H2,1-2H3,(H,24,28);2-11H,12-16H2,1H3;2-4,6-7H,5,8-13,16H2,1H3;2-6,15H,7-11H2,1H3;1-5H,6-10H2;2-6,13H,7-10H2,1H3;2-4H2,1H3;1-2H3;1H3;;4*1H;/q;;;;;;;;;-1;+3;;;;;+2/p-4.

What are the key properties of magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide?

magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide has a molecular weight of 2535.29 g/mol, XLogP of 22.28, 29 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-benzyl-4-methyl-4-phenylpiperidine;1-benzyl-4-methylpiperidin-4-ol;1-benzylpiperidin-4-one;1-bromobutane;carbanide;ethane;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate;4-methyl-4-phenylpiperidine;3-(4-methyl-4-phenylpiperidin-1-yl)propan-1-amine;trichloroalumane;bromide is sourced from PubChem (CID 159338471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).