1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate

C211H389FN40O11S — CID 158488633

IUPAC1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate
SMILESC=C(O)CC(CCO)N1CCN(C(C)(C)C)CC1.C=C(O)CN1CCN(C(C)(C)C)CC1.C=C1CC(N2CCN(C(C)(C)C)CC2)CCO1.C=CC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(C2(C#N)CCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CC(C)(C)N1CCN2CCC(F)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3O.C14H28N2O2.C14H26N2O.C14H22N2.C14H27N.C13H21N3.C13H23N3.C12H23FN2.2C12H20N4.C12H24N2O2.C12H23NO.C12H23N.C11H23N3O.C11H19N3S.C11H22N2O.C10H20N2O2/c1-5-13(18)16-7-6-15-8-9-17(14(2,3)4)11-12(15)10-16;1-12(18)11-13(5-10-17)15-6-8-16(9-7-15)14(2,3)4;1-12-11-13(5-10-17-12)15-6-8-16(9-7-15)14(2,3)4;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-12(2,3)15-7-9-16(10-8-15)13(11-14)5-4-6-13;1-12(2,3)15-7-6-14-5-4-10(13)8-11(14)9-15;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(14)9-12-5-7-13(8-6-12)11(2,3)4;1-10(2,3)12-7-5-11(6-8-12)9(13)14-4/h5,12H,1,6-11H2,2-4H3;13,17-18H,1,5-11H2,2-4H3;13H,1,5-11H2,2-4H3;4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3;14H,1,5-9H2,2-4H3;5-8H2,1-4H3
InChIKeyHIKNLIJSQACELS-UHFFFAOYSA-N
MW3713.77 g/mol
LogP31.59
Rot. Bonds18

About 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate

1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate (PubChem CID 158488633) has the molecular formula C211H389FN40O11S and a molecular weight of 3713.77 g/mol. Its IUPAC name is 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate
PubChem CID158488633
Molecular FormulaC211H389FN40O11S
Molecular Weight3713.77 g/mol
Exact Mass3711.08
IUPAC Name1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate
SMILESC=C(O)CC(CCO)N1CCN(C(C)(C)C)CC1.C=C(O)CN1CCN(C(C)(C)C)CC1.C=C1CC(N2CCN(C(C)(C)C)CC2)CCO1.C=CC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(C2(C#N)CCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CC(C)(C)N1CCN2CCC(F)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3O.C14H28N2O2.C14H26N2O.C14H22N2.C14H27N.C13H21N3.C13H23N3.C12H23FN2.2C12H20N4.C12H24N2O2.C12H23NO.C12H23N.C11H23N3O.C11H19N3S.C11H22N2O.C10H20N2O2/c1-5-13(18)16-7-6-15-8-9-17(14(2,3)4)11-12(15)10-16;1-12(18)11-13(5-10-17)15-6-8-16(9-7-15)14(2,3)4;1-12-11-13(5-10-17-12)15-6-8-16(9-7-15)14(2,3)4;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-12(2,3)15-7-9-16(10-8-15)13(11-14)5-4-6-13;1-12(2,3)15-7-6-14-5-4-10(13)8-11(14)9-15;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(14)9-12-5-7-13(8-6-12)11(2,3)4;1-10(2,3)12-7-5-11(6-8-12)9(13)14-4/h5,12H,1,6-11H2,2-4H3;13,17-18H,1,5-11H2,2-4H3;13H,1,5-11H2,2-4H3;4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3;14H,1,5-9H2,2-4H3;5-8H2,1-4H3
InChIKeyHIKNLIJSQACELS-UHFFFAOYSA-N
XLogP31.59
TPSA373.94 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds18
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003713.77
LogP ≤ 531.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate?
The IUPAC name of 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate (CID 158488633) is 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate is C=C(O)CC(CCO)N1CCN(C(C)(C)C)CC1.C=C(O)CN1CCN(C(C)(C)C)CC1.C=C1CC(N2CCN(C(C)(C)C)CC2)CCO1.C=CC(=O)N1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(C2(C#N)CCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CC(C)(C)N1CCN2CCC(F)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate?
The InChIKey is HIKNLIJSQACELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.C14H28N2O2.C14H26N2O.C14H22N2.C14H27N.C13H21N3.C13H23N3.C12H23FN2.2C12H20N4.C12H24N2O2.C12H23NO.C12H23N.C11H23N3O.C11H19N3S.C11H22N2O.C10H20N2O2/c1-5-13(18)16-7-6-15-8-9-17(14(2,3)4)11-12(15)10-16;1-12(18)11-13(5-10-17)15-6-8-16(9-7-15)14(2,3)4;1-12-11-13(5-10-17-12)15-6-8-16(9-7-15)14(2,3)4;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-12(2,3)15-7-9-16(10-8-15)13(11-14)5-4-6-13;1-12(2,3)15-7-6-14-5-4-10(13)8-11(14)9-15;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(14)9-12-5-7-13(8-6-12)11(2,3)4;1-10(2,3)12-7-5-11(6-8-12)9(13)14-4/h5,12H,1,6-11H2,2-4H3;13,17-18H,1,5-11H2,2-4H3;13H,1,5-11H2,2-4H3;4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3;14H,1,5-9H2,2-4H3;5-8H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate?
1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate has a molecular weight of 3713.77 g/mol, XLogP of 31.59, 18 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)prop-2-en-1-one;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;2-tert-butyl-8-fluoro-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-(2-methylideneoxan-4-yl)piperazine;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;1-tert-butyl-4-phenylpiperazine;1-(4-tert-butylpiperazin-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butylpiperazin-1-yl)hex-5-ene-1,5-diol;3-(4-tert-butylpiperazin-1-yl)prop-1-en-2-ol;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methyl 4-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 158488633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).