1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine

C232H469F11N40O12S2 — CID 157054797

IUPAC1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CCSCC1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1CCN(C(C)(C)C)C1.CC1CCN(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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F.CN1CCN(C(C)(C)C)CC1C(N)=O
InChIInChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H21N3O.C10H22N2.2C9H17F2N.2C9H18N2O.C9H20N2.C9H17NO.C9H19N.C8H15F2N.C8H16N2O.C8H17NO2S.C8H17NO.C8H15NO.C8H17NS.C8H17N.C7H13F2N.2C7H12N2.C7H13NO2.C7H13NO.C7H15N.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-9(2,3)15-6-5-14(4)8(7-15)10(11,12)13;1-10(2,3)13-6-5-12(4)8(7-13)9(11)14;1-10(2,3)12-7-5-6-11(4)8-9-12;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-4-6-10-7-5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-7-3-5-8(2)6-4-7;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3,(H2,11,14);5-9H2,1-4H3;2*4-7H2,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;7H,3-6H2,1-2H3;4-5H2,1-3H3
InChIKeyAAPXMTNPSCERJE-UHFFFAOYSA-N
MW4284.68 g/mol
LogP40.19
Rot. Bonds1

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine (PubChem CID 157054797) has the molecular formula C232H469F11N40O12S2 and a molecular weight of 4284.68 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine.

Molecular Properties

Compound Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine
PubChem CID157054797
Molecular FormulaC232H469F11N40O12S2
Molecular Weight4284.68 g/mol
Exact Mass4281.66
IUPAC Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CCSCC1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1CCN(C(C)(C)C)C1.CC1CCN(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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F.CN1CCN(C(C)(C)C)CC1C(N)=O
InChIInChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H21N3O.C10H22N2.2C9H17F2N.2C9H18N2O.C9H20N2.C9H17NO.C9H19N.C8H15F2N.C8H16N2O.C8H17NO2S.C8H17NO.C8H15NO.C8H17NS.C8H17N.C7H13F2N.2C7H12N2.C7H13NO2.C7H13NO.C7H15N.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-9(2,3)15-6-5-14(4)8(7-15)10(11,12)13;1-10(2,3)13-6-5-12(4)8(7-13)9(11)14;1-10(2,3)12-7-5-6-11(4)8-9-12;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-4-6-10-7-5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-7-3-5-8(2)6-4-7;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3,(H2,11,14);5-9H2,1-4H3;2*4-7H2,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;7H,3-6H2,1-2H3;4-5H2,1-3H3
InChIKeyAAPXMTNPSCERJE-UHFFFAOYSA-N
XLogP40.19
TPSA363.99 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds1
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004284.68
LogP ≤ 540.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine?
The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine (CID 157054797) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine.
What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine?
The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine is CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CCSCC1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1CCN(C(C)(C)C)C1.CC1CCN(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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F.CN1CCN(C(C)(C)C)CC1C(N)=O.
What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine?
The InChIKey is AAPXMTNPSCERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H21N3O.C10H22N2.2C9H17F2N.2C9H18N2O.C9H20N2.C9H17NO.C9H19N.C8H15F2N.C8H16N2O.C8H17NO2S.C8H17NO.C8H15NO.C8H17NS.C8H17N.C7H13F2N.2C7H12N2.C7H13NO2.C7H13NO.C7H15N.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-9(2,3)15-6-5-14(4)8(7-15)10(11,12)13;1-10(2,3)13-6-5-12(4)8(7-13)9(11)14;1-10(2,3)12-7-5-6-11(4)8-9-12;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-4-6-10-7-5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-7-3-5-8(2)6-4-7;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3,(H2,11,14);5-9H2,1-4H3;2*4-7H2,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;7H,3-6H2,1-2H3;4-5H2,1-3H3.
What are the key properties of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine?
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine has a molecular weight of 4284.68 g/mol, XLogP of 40.19, 1 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylimidazole;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;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-dimethylpiperidine is sourced from PubChem (CID 157054797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).