4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

C136H239N29O5S — CID 161134367

IUPAC4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCC2(CCOCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H22N2.3C13H21N3.C13H25NO.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H19N3S/c1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-8-4-13(5-9-14)6-10-15-11-7-13;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)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/h4-8H,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3
InChIKeyUMPIDCURIGKESP-UHFFFAOYSA-N
MW2392.67 g/mol
LogP20.49
Rot. Bonds10

About 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 161134367) has the molecular formula C136H239N29O5S and a molecular weight of 2392.67 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
PubChem CID161134367
Molecular FormulaC136H239N29O5S
Molecular Weight2392.67 g/mol
Exact Mass2390.91
IUPAC Name4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCC2(CCOCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H22N2.3C13H21N3.C13H25NO.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H19N3S/c1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-8-4-13(5-9-14)6-10-15-11-7-13;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)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/h4-8H,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3
InChIKeyUMPIDCURIGKESP-UHFFFAOYSA-N
XLogP20.49
TPSA232.99 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds10
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002392.67
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(4-Tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine
CID 157103071
8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;bis(1-tert-butyl-4-phenylpiperazine);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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 157615900
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine;N,N,2-trimethylpropan-2-amine
CID 158223301
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
3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 158658227
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 158788915
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 159424819
1-Tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 159529731
1-Tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
CID 159532230
1-Tert-butyl-4-(4-fluorophenyl)piperazine;1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-propylpiperazine;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine
CID 159812603
1-(2-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl)ethanone;8-tert-butyl-2-methylsulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
CID 160106395
8-tert-butyl-2-methylsulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
CID 160361234

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The IUPAC name of 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (CID 161134367) is 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The canonical SMILES for 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCC2(CCOCC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The InChIKey is UMPIDCURIGKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.3C13H21N3.C13H25NO.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H19N3S/c1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-8-4-13(5-9-14)6-10-15-11-7-13;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)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/h4-8H,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;4,9H,5-8H2,1-3H3.
What are the key properties of 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate has a molecular weight of 2392.67 g/mol, XLogP of 20.49, 10 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;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-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is sourced from PubChem (CID 161134367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).