tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate

C151H262F5N31O22 — CID 159312403

IUPACtert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C)CC1.CC(C)OC(=O)N1CCN(C)CC1.CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CC1=CCN(C(=O)OC(C)C)CC1.CC1=CCN(C(=O)OCC(C)C)CC1.CCOC(=O)N1CC=C(C)CC1.CCOC(=O)N1CCN(C)CC1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(C(=O)OC(F)(F)F)CC1.CN1CCN(C(=O)OC2(C)CC2)CC1.Cc1cnc(C2CCN(C)CC2)cn1
InChIInChI=1S/C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C11H19NO2.C10H18N2O2.2C10H20N2O2.C10H17NO2.C9H13F2N3O.C9H18N2O2.C9H15NO2.C8H16N2O2.C7H11F3N2O2/c1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-9(2)8-14-11(13)12-6-4-10(3)5-7-12;1-10(3-4-10)14-9(13)12-7-5-11(2)6-8-12;1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-9(2)8-14-10(13)12-6-4-11(3)5-7-12;1-8(2)13-10(12)11-6-4-9(3)5-7-11;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9;1-8(2)13-9(12)11-6-4-10(3)5-7-11;1-3-12-9(11)10-6-4-8(2)5-7-10;1-3-12-8(11)10-6-4-9(2)5-7-10;1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;4,9H,5-8H2,1-3H3;3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4,8H,5-7H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;4H,3,5-7H2,1-2H3;3-7H2,1-2H3;2-5H2,1H3
InChIKeyLCSFHICXFNLIER-UHFFFAOYSA-N
MW2958.94 g/mol
LogP24.06
Rot. Bonds20

About tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate

tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate (PubChem CID 159312403) has the molecular formula C151H262F5N31O22 and a molecular weight of 2958.94 g/mol. Its IUPAC name is tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate
PubChem CID159312403
Molecular FormulaC151H262F5N31O22
Molecular Weight2958.94 g/mol
Exact Mass2957.03
IUPAC Nametert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C)CC1.CC(C)OC(=O)N1CCN(C)CC1.CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CC1=CCN(C(=O)OC(C)C)CC1.CC1=CCN(C(=O)OCC(C)C)CC1.CCOC(=O)N1CC=C(C)CC1.CCOC(=O)N1CCN(C)CC1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(C(=O)OC(F)(F)F)CC1.CN1CCN(C(=O)OC2(C)CC2)CC1.Cc1cnc(C2CCN(C)CC2)cn1
InChIInChI=1S/C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C11H19NO2.C10H18N2O2.2C10H20N2O2.C10H17NO2.C9H13F2N3O.C9H18N2O2.C9H15NO2.C8H16N2O2.C7H11F3N2O2/c1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-9(2)8-14-11(13)12-6-4-10(3)5-7-12;1-10(3-4-10)14-9(13)12-7-5-11(2)6-8-12;1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-9(2)8-14-10(13)12-6-4-11(3)5-7-12;1-8(2)13-10(12)11-6-4-9(3)5-7-11;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9;1-8(2)13-9(12)11-6-4-10(3)5-7-11;1-3-12-9(11)10-6-4-8(2)5-7-10;1-3-12-8(11)10-6-4-9(2)5-7-10;1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;4,9H,5-8H2,1-3H3;3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4,8H,5-7H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;4H,3,5-7H2,1-2H3;3-7H2,1-2H3;2-5H2,1H3
InChIKeyLCSFHICXFNLIER-UHFFFAOYSA-N
XLogP24.06
TPSA486.20 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds20
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002958.94
LogP ≤ 524.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate (CID 159312403) is tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C)CC1.CC(C)OC(=O)N1CCN(C)CC1.CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CC1=CCN(C(=O)OC(C)C)CC1.CC1=CCN(C(=O)OCC(C)C)CC1.CCOC(=O)N1CC=C(C)CC1.CCOC(=O)N1CCN(C)CC1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(C(=O)OC(F)(F)F)CC1.CN1CCN(C(=O)OC2(C)CC2)CC1.Cc1cnc(C2CCN(C)CC2)cn1.
What is the InChIKey of tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is LCSFHICXFNLIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C11H19NO2.C10H18N2O2.2C10H20N2O2.C10H17NO2.C9H13F2N3O.C9H18N2O2.C9H15NO2.C8H16N2O2.C7H11F3N2O2/c1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-9(2)8-14-11(13)12-6-4-10(3)5-7-12;1-10(3-4-10)14-9(13)12-7-5-11(2)6-8-12;1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-9(2)8-14-10(13)12-6-4-11(3)5-7-12;1-8(2)13-10(12)11-6-4-9(3)5-7-11;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9;1-8(2)13-9(12)11-6-4-10(3)5-7-11;1-3-12-9(11)10-6-4-8(2)5-7-10;1-3-12-8(11)10-6-4-9(2)5-7-10;1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;4,9H,5-8H2,1-3H3;3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4,8H,5-7H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;4H,3,5-7H2,1-2H3;3-7H2,1-2H3;2-5H2,1H3.
What are the key properties of tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate?
tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 2958.94 g/mol, XLogP of 24.06, 20 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperazine-1-carboxylate;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;ethyl 4-methylpiperazine-1-carboxylate;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;(1-methylcyclopropyl) 4-methylpiperazine-1-carboxylate;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-methylpropyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate;trifluoromethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 159312403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).