butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

C126H244N28O18 — CID 158461967

IUPACbutyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCCCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1.CN1CCN(C2CCN(CC(=O)O)C2)CC1
InChIInChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C16H31N3O2.C14H27N3O2.C11H21N3O2/c1-19-5-3-16(4-6-19)22-8-7-20(2)15-17(22)18(23)25-14-11-21-9-12-24-13-10-21;1-4-5-6-7-14-23-18(22)17-15-20(3)12-13-21(17)16-8-10-19(2)11-9-16;1-18(2)8-5-13-23-17(22)16-14-20(4)11-12-21(16)15-6-9-19(3)10-7-15;1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13;1-17(2)11-12-22-16(21)15-13-19(4)9-10-20(15)14-5-7-18(3)8-6-14;1-4-5-12-21-16(20)15-13-18(3)10-11-19(15)14-6-8-17(2)9-7-14;1-4-19-14(18)13-11-16(3)9-10-17(13)12-5-7-15(2)8-6-12;1-12-4-6-14(7-5-12)10-2-3-13(8-10)9-11(15)16/h16-17H,3-15H2,1-2H3;16-17H,4-15H2,1-3H3;15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;10H,2-9H2,1H3,(H,15,16)
InChIKeyHFHDQAGJACSHFH-UHFFFAOYSA-N
MW2439.52 g/mol
LogP1.41
Rot. Bonds38

About butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (PubChem CID 158461967) has the molecular formula C126H244N28O18 and a molecular weight of 2439.52 g/mol. Its IUPAC name is butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Namebutyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
PubChem CID158461967
Molecular FormulaC126H244N28O18
Molecular Weight2439.52 g/mol
Exact Mass2437.90
IUPAC Namebutyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCCCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1.CN1CCN(C2CCN(CC(=O)O)C2)CC1
InChIInChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C16H31N3O2.C14H27N3O2.C11H21N3O2/c1-19-5-3-16(4-6-19)22-8-7-20(2)15-17(22)18(23)25-14-11-21-9-12-24-13-10-21;1-4-5-6-7-14-23-18(22)17-15-20(3)12-13-21(17)16-8-10-19(2)11-9-16;1-18(2)8-5-13-23-17(22)16-14-20(4)11-12-21(16)15-6-9-19(3)10-7-15;1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13;1-17(2)11-12-22-16(21)15-13-19(4)9-10-20(15)14-5-7-18(3)8-6-14;1-4-5-12-21-16(20)15-13-18(3)10-11-19(15)14-6-8-17(2)9-7-14;1-4-19-14(18)13-11-16(3)9-10-17(13)12-5-7-15(2)8-6-12;1-12-4-6-14(7-5-12)10-2-3-13(8-10)9-11(15)16/h16-17H,3-15H2,1-2H3;16-17H,4-15H2,1-3H3;15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;10H,2-9H2,1H3,(H,15,16)
InChIKeyHFHDQAGJACSHFH-UHFFFAOYSA-N
XLogP1.41
TPSA338.42 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002439.52
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The IUPAC name of butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (CID 158461967) is butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.
What is the SMILES notation for butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The canonical SMILES for butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is CCCCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN(C)CCOC(=O)C1CN(C)CCN1C1CCN(C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1.CN1CCN(C2CCN(CC(=O)O)C2)CC1.
What is the InChIKey of butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The InChIKey is HFHDQAGJACSHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C16H31N3O2.C14H27N3O2.C11H21N3O2/c1-19-5-3-16(4-6-19)22-8-7-20(2)15-17(22)18(23)25-14-11-21-9-12-24-13-10-21;1-4-5-6-7-14-23-18(22)17-15-20(3)12-13-21(17)16-8-10-19(2)11-9-16;1-18(2)8-5-13-23-17(22)16-14-20(4)11-12-21(16)15-6-9-19(3)10-7-15;1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13;1-17(2)11-12-22-16(21)15-13-19(4)9-10-20(15)14-5-7-18(3)8-6-14;1-4-5-12-21-16(20)15-13-18(3)10-11-19(15)14-6-8-17(2)9-7-14;1-4-19-14(18)13-11-16(3)9-10-17(13)12-5-7-15(2)8-6-12;1-12-4-6-14(7-5-12)10-2-3-13(8-10)9-11(15)16/h16-17H,3-15H2,1-2H3;16-17H,4-15H2,1-3H3;15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;10H,2-9H2,1H3,(H,15,16).
What are the key properties of butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate has a molecular weight of 2439.52 g/mol, XLogP of 1.41, 38 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;3-(dimethylamino)propyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;ethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is sourced from PubChem (CID 158461967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).