magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide

C107H170Br2MgN14O12 — CID 162213541

IUPACmagnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide
SMILESBrCc1ccccc1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1.C[C@H]1CN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CNCCN1Cc1ccccc1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H34N4O2.C23H37N3O2.C17H26N2O2.C12H18N2.C10H20N2O2.C10H17NO3.C7H7Br.C4H8O.CH3.BrH.Mg/c1-19-16-27(15-14-26(19)17-20-8-6-5-7-9-20)23(18-24)10-12-25(13-11-23)21(28)29-22(2,3)4;1-19-17-26(16-15-25(19)18-20-9-7-6-8-10-20)23(5)11-13-24(14-12-23)21(27)28-22(2,3)4;1-14-12-19(16(20)21-17(2,3)4)11-10-18(14)13-15-8-6-5-7-9-15;1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;/h5-9,19H,10-17H2,1-4H3;6-10,19H,11-18H2,1-5H3;5-9,14H,10-13H2,1-4H3;2-6,11,13H,7-10H2,1H3;8,11H,5-7H2,1-4H3;4-7H2,1-3H3;1-5H,6H2;1-4H2;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t2*19-;14-;11-;8-;;;;;;/m00000....../s1
InChIKeyBCYSACCRNIPTOR-IFECXRKASA-M
MW2028.74 g/mol
LogP15.33
Rot. Bonds11

About magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide

magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide (PubChem CID 162213541) has the molecular formula C107H170Br2MgN14O12 and a molecular weight of 2028.74 g/mol. Its IUPAC name is magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide
PubChem CID162213541
Molecular FormulaC107H170Br2MgN14O12
Molecular Weight2028.74 g/mol
Exact Mass2025.13
IUPAC Namemagnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide
SMILESBrCc1ccccc1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1.C[C@H]1CN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CNCCN1Cc1ccccc1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H34N4O2.C23H37N3O2.C17H26N2O2.C12H18N2.C10H20N2O2.C10H17NO3.C7H7Br.C4H8O.CH3.BrH.Mg/c1-19-16-27(15-14-26(19)17-20-8-6-5-7-9-20)23(18-24)10-12-25(13-11-23)21(28)29-22(2,3)4;1-19-17-26(16-15-25(19)18-20-9-7-6-8-10-20)23(5)11-13-24(14-12-23)21(27)28-22(2,3)4;1-14-12-19(16(20)21-17(2,3)4)11-10-18(14)13-15-8-6-5-7-9-15;1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;/h5-9,19H,10-17H2,1-4H3;6-10,19H,11-18H2,1-5H3;5-9,14H,10-13H2,1-4H3;2-6,11,13H,7-10H2,1H3;8,11H,5-7H2,1-4H3;4-7H2,1-3H3;1-5H,6H2;1-4H2;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t2*19-;14-;11-;8-;;;;;;/m00000....../s1
InChIKeyBCYSACCRNIPTOR-IFECXRKASA-M
XLogP15.33
TPSA241.29 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.74
LogP ≤ 515.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
CID 71096758
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
benzyl (3S)-3-methyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate
CID 160553171
3-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072537
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
CID 69047324
magnesium;4-benzylpiperidin-4-ol;tert-butyl 4-benzyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethane;methanidylbenzene;bromide
CID 158727238
tert-butyl 4-benzyl-3-cyanopiperazine-1-carboxylate
CID 53413955
tert-butyl 4-(1-benzyl-3-cyanopiperidin-3-yl)piperazine-1-carboxylate
CID 71134895
benzoic acid;tert-butyl piperazine-1-carboxylate;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;phenyl(piperazin-1-yl)methanone
CID 161118548
tert-butyl (3S)-4-[(3-bromo-4-chlorophenyl)methyl]-3-methylpiperazine-1-carboxylate
CID 142483084
2-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072538
4-(bromomethyl)benzoic acid;tert-butyl piperazine-1-carboxylate;4-(piperazin-1-ylmethyl)benzoic acid
CID 159200744

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide?
The IUPAC name of magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide (CID 162213541) is magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide.
What is the SMILES notation for magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide?
The canonical SMILES for magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide is BrCc1ccccc1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1.C[C@H]1CN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1.C[C@H]1CNCCN1Cc1ccccc1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide?
The InChIKey is BCYSACCRNIPTOR-IFECXRKASA-M. The full InChI is InChI=1S/C23H34N4O2.C23H37N3O2.C17H26N2O2.C12H18N2.C10H20N2O2.C10H17NO3.C7H7Br.C4H8O.CH3.BrH.Mg/c1-19-16-27(15-14-26(19)17-20-8-6-5-7-9-20)23(18-24)10-12-25(13-11-23)21(28)29-22(2,3)4;1-19-17-26(16-15-25(19)18-20-9-7-6-8-10-20)23(5)11-13-24(14-12-23)21(27)28-22(2,3)4;1-14-12-19(16(20)21-17(2,3)4)11-10-18(14)13-15-8-6-5-7-9-15;1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;/h5-9,19H,10-17H2,1-4H3;6-10,19H,11-18H2,1-5H3;5-9,14H,10-13H2,1-4H3;2-6,11,13H,7-10H2,1H3;8,11H,5-7H2,1-4H3;4-7H2,1-3H3;1-5H,6H2;1-4H2;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t2*19-;14-;11-;8-;;;;;;/m00000....../s1.
What are the key properties of magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide?
magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide has a molecular weight of 2028.74 g/mol, XLogP of 15.33, 11 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-1-benzyl-2-methylpiperazine;bromomethylbenzene;tert-butyl (3S)-4-benzyl-3-methylpiperazine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;oxolane;bromide is sourced from PubChem (CID 162213541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).