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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine

C110H187N25O3S — CID 163616736

IUPACbis(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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)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.COCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C14H22N2.2C13H21N3.2C12H20N4.C11H19N3S.C11H22N2O2.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;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)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;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,9H,5-8H2,1-3H3;5-9H2,1-4H3;5-8H2,1-4H3
InChIKeyHKQCECFJUNPOCT-UHFFFAOYSA-N
MW1939.94 g/mol
LogP15.60
Rot. Bonds9

About 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine

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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine (PubChem CID 163616736) has the molecular formula C110H187N25O3S and a molecular weight of 1939.94 g/mol. Its IUPAC name is 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Namebis(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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
PubChem CID163616736
Molecular FormulaC110H187N25O3S
Molecular Weight1939.94 g/mol
Exact Mass1938.50
IUPAC Namebis(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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)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.COCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C14H22N2.2C13H21N3.2C12H20N4.C11H19N3S.C11H22N2O2.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;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)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;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,9H,5-8H2,1-3H3;5-9H2,1-4H3;5-8H2,1-4H3
InChIKeyHKQCECFJUNPOCT-UHFFFAOYSA-N
XLogP15.60
TPSA191.92 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.94
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?
The IUPAC name of 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine (CID 163616736) is 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?
The canonical SMILES for 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)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.COCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?
The InChIKey is HKQCECFJUNPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N2.2C13H21N3.2C12H20N4.C11H19N3S.C11H22N2O2.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;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)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;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,9H,5-8H2,1-3H3;5-9H2,1-4H3;5-8H2,1-4H3.
What are the key properties of 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?
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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine has a molecular weight of 1939.94 g/mol, XLogP of 15.60, 9 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 163616736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).