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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

C97H188N22O14 — CID 158574491

IUPAC2-(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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCCCCCOC(=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)O)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C12H23N3O2/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;1-13-5-3-10(4-6-13)15-8-7-14(2)9-11(15)12(16)17/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;10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyHSMKZPDFYHLDDM-UHFFFAOYSA-N
MW1886.71 g/mol
LogP0.49
Rot. Bonds29

About 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (PubChem CID 158574491) has the molecular formula C97H188N22O14 and a molecular weight of 1886.71 g/mol. Its IUPAC name is 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Name2-(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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
PubChem CID158574491
Molecular FormulaC97H188N22O14
Molecular Weight1886.71 g/mol
Exact Mass1885.47
IUPAC Name2-(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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCCCCCOC(=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)O)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C12H23N3O2/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;1-13-5-3-10(4-6-13)15-8-7-14(2)9-11(15)12(16)17/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;10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyHSMKZPDFYHLDDM-UHFFFAOYSA-N
XLogP0.49
TPSA266.38 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001886.71
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic 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 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The IUPAC name of 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (CID 158574491) is 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.
What is the SMILES notation for 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The canonical SMILES for 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is CCCCCCOC(=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)O)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.CN1CCC(N2CCN(C)CC2C(=O)OCCN2CCOCC2)CC1.
What is the InChIKey of 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The InChIKey is HSMKZPDFYHLDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3.C18H35N3O2.C17H34N4O2.C16H30N4O3.C16H32N4O2.C12H23N3O2/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;1-13-5-3-10(4-6-13)15-8-7-14(2)9-11(15)12(16)17/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;10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate has a molecular weight of 1886.71 g/mol, XLogP of 0.49, 29 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;hexyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is sourced from PubChem (CID 158574491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).