1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine

C171H344F9N29O3 — CID 158555832

IUPAC1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2.C13H27N.C11H20F3N.2C11H18F2N4.C11H24N2.C10H20FN.C10H21N.2C9H20N2.2C9H19N.C8H16FN.C8H16N2O.C8H15NO.C8H17N.C7H13NO.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;9-10H,7-8H2,1-6H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;2*5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyHQGXZKNYJZKRKA-UHFFFAOYSA-N
MW3025.81 g/mol
LogP35.51
Rot. Bonds2

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine

1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine (PubChem CID 158555832) has the molecular formula C171H344F9N29O3 and a molecular weight of 3025.81 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine
PubChem CID158555832
Molecular FormulaC171H344F9N29O3
Molecular Weight3025.81 g/mol
Exact Mass3023.75
IUPAC Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2.C13H27N.C11H20F3N.2C11H18F2N4.C11H24N2.C10H20FN.C10H21N.2C9H20N2.2C9H19N.C8H16FN.C8H16N2O.C8H15NO.C8H17N.C7H13NO.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;9-10H,7-8H2,1-6H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;2*5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyHQGXZKNYJZKRKA-UHFFFAOYSA-N
XLogP35.51
TPSA186.92 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds2
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.81
LogP ≤ 535.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine with MolForge

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Related Compounds

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 158288039
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;bis(1-tert-butylpyrrolidin-2-one);1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 158467919
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 158794229
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 159086540
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 160633874
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 160817978
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;bis(1-tert-butylpyrrolidin-2-one);1-tert-butyl-2,2,6,6-tetramethylpiperidine;methane
CID 161041770
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrolidin-2-one;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 161156745
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;bis(1-tert-butylpyrrolidin-2-one);1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 161352648

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine?
The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine (CID 158555832) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine.
What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine?
The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine is CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine?
The InChIKey is HQGXZKNYJZKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C13H27N.C11H20F3N.2C11H18F2N4.C11H24N2.C10H20FN.C10H21N.2C9H20N2.2C9H19N.C8H16FN.C8H16N2O.C8H15NO.C8H17N.C7H13NO.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;9-10H,7-8H2,1-6H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;2*5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine?
1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine has a molecular weight of 3025.81 g/mol, XLogP of 35.51, 2 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butyl-4-methylpiperazine);1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,6-trimethylpiperazine is sourced from PubChem (CID 158555832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).