1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine

C113H180Cl3F3N26O5 — CID 157308819

IUPAC1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCN(C(=O)c2ccncc2)CC1.CC(C)(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2Cl)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2ncncc2CO)CC1.CC(C)(C)N1CCNC(=O)C1.[C-]#[N+]c1nccnc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H21F3N2.C14H20Cl2N2.C14H21ClN2.C14H21N3O.C13H19N5.C13H22N4O.C12H20N4.C10H20N2O2.C8H16N2O/c1-14(2,3)20-9-7-19(8-10-20)13-6-4-5-12(11-13)15(16,17)18;1-14(2,3)18-9-7-17(8-10-18)12-6-4-5-11(15)13(12)16;1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)18-9-7-17(8-10-18)12-11(14-4)15-5-6-16-12;1-13(2,3)17-6-4-16(5-7-17)12-11(9-18)8-14-10-15-12;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2,3)10-5-4-9-7(11)6-10/h4-6,11H,7-10H2,1-3H3;4-6H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;5-6H,7-10H2,1-3H3;8,10,18H,4-7,9H2,1-3H3;4-6H,7-10H2,1-3H3;13H,4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11)
InChIKeyBCUKWRXOAXYHLH-UHFFFAOYSA-N
MW2146.21 g/mol
LogP16.81
Rot. Bonds9

About 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine

1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 157308819) has the molecular formula C113H180Cl3F3N26O5 and a molecular weight of 2146.21 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID157308819
Molecular FormulaC113H180Cl3F3N26O5
Molecular Weight2146.21 g/mol
Exact Mass2143.36
IUPAC Name1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCN(C(=O)c2ccncc2)CC1.CC(C)(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2Cl)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2ncncc2CO)CC1.CC(C)(C)N1CCNC(=O)C1.[C-]#[N+]c1nccnc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H21F3N2.C14H20Cl2N2.C14H21ClN2.C14H21N3O.C13H19N5.C13H22N4O.C12H20N4.C10H20N2O2.C8H16N2O/c1-14(2,3)20-9-7-19(8-10-20)13-6-4-5-12(11-13)15(16,17)18;1-14(2,3)18-9-7-17(8-10-18)12-6-4-5-11(15)13(12)16;1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)18-9-7-17(8-10-18)12-11(14-4)15-5-6-16-12;1-13(2,3)17-6-4-16(5-7-17)12-11(9-18)8-14-10-15-12;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2,3)10-5-4-9-7(11)6-10/h4-6,11H,7-10H2,1-3H3;4-6H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;5-6H,7-10H2,1-3H3;8,10,18H,4-7,9H2,1-3H3;4-6H,7-10H2,1-3H3;13H,4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11)
InChIKeyBCUKWRXOAXYHLH-UHFFFAOYSA-N
XLogP16.81
TPSA253.37 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.21
LogP ≤ 516.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

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Related Compounds

pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 24663755
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
3-(2,4-dichlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 100607984
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
2-(1-ethylimidazol-2-yl)sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 55508324
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743
[4-[(2-chloro-4-pyridinyl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4120561

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine (CID 157308819) is 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine is CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCN(C(=O)c2ccncc2)CC1.CC(C)(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)N1CCN(c2cccc(Cl)c2Cl)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCN(c2ncncc2CO)CC1.CC(C)(C)N1CCNC(=O)C1.[C-]#[N+]c1nccnc1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is BCUKWRXOAXYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C14H20Cl2N2.C14H21ClN2.C14H21N3O.C13H19N5.C13H22N4O.C12H20N4.C10H20N2O2.C8H16N2O/c1-14(2,3)20-9-7-19(8-10-20)13-6-4-5-12(11-13)15(16,17)18;1-14(2,3)18-9-7-17(8-10-18)12-6-4-5-11(15)13(12)16;1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)18-9-7-17(8-10-18)12-11(14-4)15-5-6-16-12;1-13(2,3)17-6-4-16(5-7-17)12-11(9-18)8-14-10-15-12;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2,3)10-5-4-9-7(11)6-10/h4-6,11H,7-10H2,1-3H3;4-6H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;5-6H,7-10H2,1-3H3;8,10,18H,4-7,9H2,1-3H3;4-6H,7-10H2,1-3H3;13H,4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11).
What are the key properties of 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine?
1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 2146.21 g/mol, XLogP of 16.81, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-chlorophenyl)piperazine;1-tert-butyl-4-(2,3-dichlorophenyl)piperazine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;2-(4-tert-butylpiperazin-1-yl)-3-isocyanopyrazine;(4-tert-butylpiperazin-1-yl)-pyridin-4-ylmethanone;2-(4-tert-butylpiperazin-1-yl)pyrimidine;[4-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]methanol;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 157308819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).