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

C113H204FN25O3S — CID 159812603

IUPAC1-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
SMILESCC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCOCCO)CC1.CC(C)(C)N1CCN(CCc2ccncc2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3.C14H21FN2.C14H23N3.C13H24N4.C13H21N3.C12H26N2O2.C11H19N3S.C11H24N2.C10H21N3O/c1-15(2,3)18-12-10-17(11-13-18)9-6-14-4-7-16-8-5-14;1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13;1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-6-4-13(5-7-14)8-10-16-11-9-15;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-5,7-8H,6,9-13H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-7H,8-11H2,1-3H3;15H,4-11H2,1-3H3;4,9H,5-8H2,1-3H3;5-10H2,1-4H3;4-8H2,1-3H3,(H2,11,14)
InChIKeyNLFITGVITUAGFI-UHFFFAOYSA-N
MW2012.11 g/mol
LogP14.26
Rot. Bonds20

About 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

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 (PubChem CID 159812603) has the molecular formula C113H204FN25O3S and a molecular weight of 2012.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159812603
Molecular FormulaC113H204FN25O3S
Molecular Weight2012.11 g/mol
Exact Mass2010.63
IUPAC Name1-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
SMILESCC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCOCCO)CC1.CC(C)(C)N1CCN(CCc2ccncc2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3.C14H21FN2.C14H23N3.C13H24N4.C13H21N3.C12H26N2O2.C11H19N3S.C11H24N2.C10H21N3O/c1-15(2,3)18-12-10-17(11-13-18)9-6-14-4-7-16-8-5-14;1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13;1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-6-4-13(5-7-14)8-10-16-11-9-15;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-5,7-8H,6,9-13H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-7H,8-11H2,1-3H3;15H,4-11H2,1-3H3;4,9H,5-8H2,1-3H3;5-10H2,1-4H3;4-8H2,1-3H3,(H2,11,14)
InChIKeyNLFITGVITUAGFI-UHFFFAOYSA-N
XLogP14.26
TPSA200.25 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.11
LogP ≤ 514.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
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
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-propylpiperazine;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-(pyridin-4-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine
CID 161588380
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCOCCO)CC1.CC(C)(C)N1CCN(CCc2ccncc2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is NLFITGVITUAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C14H21FN2.C14H23N3.C13H24N4.C13H21N3.C12H26N2O2.C11H19N3S.C11H24N2.C10H21N3O/c1-15(2,3)18-12-10-17(11-13-18)9-6-14-4-7-16-8-5-14;1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13;1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-6-4-13(5-7-14)8-10-16-11-9-15;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-5,7-8H,6,9-13H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-7H,8-11H2,1-3H3;15H,4-11H2,1-3H3;4,9H,5-8H2,1-3H3;5-10H2,1-4H3;4-8H2,1-3H3,(H2,11,14).
What are the key properties of 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?
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 has a molecular weight of 2012.11 g/mol, XLogP of 14.26, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159812603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).