magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride

C43H83BrClMgN5O13 — CID 162222569

About magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride

magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride (PubChem CID 162222569) has the molecular formula C43H83BrClMgN5O13 and a molecular weight of 1017.82 g/mol. Its IUPAC name is magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride
• PubChem CID: 162222569
• Molecular Formula: C43H83BrClMgN5O13
• Molecular Weight: 1017.82 g/mol
• Exact Mass: 1015.47
• IUPAC Name: magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride
• SMILES: C1CCOC1.CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CNOC.CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.Cl.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C13H24N2O4.C12H21NO3.C11H19NO4.C4H8O.C2H7NO.CH3.BrH.ClH.Mg/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5;1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;1-2-4-5-3-1;1-3-4-2;;;;/h10H,6-9H2,1-5H3;10H,5-8H2,1-4H3;8H,4-7H2,1-3H3,(H,13,14);1-4H2;3H,1-2H3;1H3;2*1H;/q;;;;;-1;;;+2/p-1
• InChIKey: NQMSKADKNHNYCI-UHFFFAOYSA-M
• XLogP: 3.65
• TPSA: 203.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.82
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride?

The IUPAC name of magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride (CID 162222569) is magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride.

What is the SMILES notation for magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride?

The canonical SMILES for magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride is C1CCOC1.CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CNOC.CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.Cl.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride?

The InChIKey is NQMSKADKNHNYCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N2O4.C12H21NO3.C11H19NO4.C4H8O.C2H7NO.CH3.BrH.ClH.Mg/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5;1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;1-2-4-5-3-1;1-3-4-2;;;;/h10H,6-9H2,1-5H3;10H,5-8H2,1-4H3;8H,4-7H2,1-3H3,(H,13,14);1-4H2;3H,1-2H3;1H3;2*1H;/q;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride?

magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride has a molecular weight of 1017.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;carbanide;N-methoxymethanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;oxolane;bromide;hydrochloride is sourced from PubChem (CID 162222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).