1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine

C108H175FN14O6 — CID 158346101

IUPAC1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine
SMILESCC(C)Oc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.CN1CCN(c2ccc(C(C)(C)C)c(F)c2)CC1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C(=O)CO)CC2)ccc1C(C)(C)C
InChIInChI=1S/C21H35N3O.C20H33N3.C18H30N2O.C17H26N2O3.C17H28N2O.C15H23FN2/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-14(2)21-17-13-15(7-8-16(17)18(3,4)5)20-11-9-19(6)10-12-20;1-17(2,3)14-6-5-13(11-15(14)22-4)18-7-9-19(10-8-18)16(21)12-20;1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19;1-15(2,3)13-6-5-12(11-14(13)16)18-9-7-17(4)8-10-18/h6-7,16-17H,8-15H2,1-5H3;5-8,19H,9-16H2,1-4H3;7-8,13-14H,9-12H2,1-6H3;5-6,11,20H,7-10,12H2,1-4H3;7-8,13H,6,9-12H2,1-5H3;5-6,11H,7-10H2,1-4H3
InChIKeyGRTDPACTKSDBMH-UHFFFAOYSA-N
MW1784.68 g/mol
LogP17.58
Rot. Bonds15

About 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine

1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine (PubChem CID 158346101) has the molecular formula C108H175FN14O6 and a molecular weight of 1784.68 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine
PubChem CID158346101
Molecular FormulaC108H175FN14O6
Molecular Weight1784.68 g/mol
Exact Mass1783.38
IUPAC Name1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine
SMILESCC(C)Oc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.CN1CCN(c2ccc(C(C)(C)C)c(F)c2)CC1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C(=O)CO)CC2)ccc1C(C)(C)C
InChIInChI=1S/C21H35N3O.C20H33N3.C18H30N2O.C17H26N2O3.C17H28N2O.C15H23FN2/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-14(2)21-17-13-15(7-8-16(17)18(3,4)5)20-11-9-19(6)10-12-20;1-17(2,3)14-6-5-13(11-15(14)22-4)18-7-9-19(10-8-18)16(21)12-20;1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19;1-15(2,3)13-6-5-12(11-14(13)16)18-9-7-17(4)8-10-18/h6-7,16-17H,8-15H2,1-5H3;5-8,19H,9-16H2,1-4H3;7-8,13-14H,9-12H2,1-6H3;5-6,11,20H,7-10,12H2,1-4H3;7-8,13H,6,9-12H2,1-5H3;5-6,11H,7-10H2,1-4H3
InChIKeyGRTDPACTKSDBMH-UHFFFAOYSA-N
XLogP17.58
TPSA119.58 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.68
LogP ≤ 517.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine with MolForge

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Related Compounds

1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
CID 90381204
1-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-4-tert-butylbenzene;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-tert-butyl-4-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]benzene;methane
CID 157252375
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;tris(2,2,2-trifluoroacetic acid)
CID 86677522
[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
CID 175146069
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
2-(difluoromethoxy)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 162611129
2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132663670
2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767353
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
CID 175810607
1-[4-[4-[[5-fluoro-4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118105735
tert-butyl 4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 58071495
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine (CID 158346101) is 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine is CC(C)Oc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.CN1CCN(c2ccc(C(C)(C)C)c(F)c2)CC1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C(=O)CO)CC2)ccc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine?
The InChIKey is GRTDPACTKSDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.C20H33N3.C18H30N2O.C17H26N2O3.C17H28N2O.C15H23FN2/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-14(2)21-17-13-15(7-8-16(17)18(3,4)5)20-11-9-19(6)10-12-20;1-17(2,3)14-6-5-13(11-15(14)22-4)18-7-9-19(10-8-18)16(21)12-20;1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19;1-15(2,3)13-6-5-12(11-14(13)16)18-9-7-17(4)8-10-18/h6-7,16-17H,8-15H2,1-5H3;5-8,19H,9-16H2,1-4H3;7-8,13-14H,9-12H2,1-6H3;5-6,11,20H,7-10,12H2,1-4H3;7-8,13H,6,9-12H2,1-5H3;5-6,11H,7-10H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine?
1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine has a molecular weight of 1784.68 g/mol, XLogP of 17.58, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-[4-(4-tert-butyl-3-methoxyphenyl)piperazin-1-yl]-2-hydroxyethanone;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-propan-2-yloxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 158346101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).