1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one

C104H199F2N13O12 — CID 160518125

IUPAC1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESCC(C)(C)C(=O)N1CCC(F)(F)CC1.CC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)N1CCC(CC(=O)C(C)(C)C)CC1.CC1CN(C(=O)C(C)(C)C)CC(C)O1.CC1CN(C(=O)C(C)(C)C)CCO1.CN1CCC(CC(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C14H26N2O2.C14H27NO.C12H23NO.C11H21NO2.C10H17F2NO.C10H19NO2.C9H20N2.C9H17NO2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5;1-12(2,3)11(14)9-10-5-7-13(4)8-6-10;1-8-6-12(7-9(2)14-8)10(13)11(3,4)5;1-9(2,3)8(14)13-6-4-10(11,12)5-7-13;1-8-7-11(5-6-13-8)9(12)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;11-12H,6-10H2,1-5H3;10H,5-9H2,1-4H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyQTXPVQATGDMYKF-UHFFFAOYSA-N
MW1861.81 g/mol
LogP15.23
Rot. Bonds7

About 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one

1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one (PubChem CID 160518125) has the molecular formula C104H199F2N13O12 and a molecular weight of 1861.81 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one
PubChem CID160518125
Molecular FormulaC104H199F2N13O12
Molecular Weight1861.81 g/mol
Exact Mass1860.53
IUPAC Name1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESCC(C)(C)C(=O)N1CCC(F)(F)CC1.CC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)N1CCC(CC(=O)C(C)(C)C)CC1.CC1CN(C(=O)C(C)(C)C)CC(C)O1.CC1CN(C(=O)C(C)(C)C)CCO1.CN1CCC(CC(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C14H26N2O2.C14H27NO.C12H23NO.C11H21NO2.C10H17F2NO.C10H19NO2.C9H20N2.C9H17NO2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5;1-12(2,3)11(14)9-10-5-7-13(4)8-6-10;1-8-6-12(7-9(2)14-8)10(13)11(3,4)5;1-9(2,3)8(14)13-6-4-10(11,12)5-7-13;1-8-7-11(5-6-13-8)9(12)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;11-12H,6-10H2,1-5H3;10H,5-9H2,1-4H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyQTXPVQATGDMYKF-UHFFFAOYSA-N
XLogP15.23
TPSA215.60 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001861.81
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2,2-difluoro-3,3-dimethyl-1-morpholin-4-ylbutan-1-one;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 160999243
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 161359760

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one (CID 160518125) is 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one is CC(C)(C)C(=O)N1CCC(F)(F)CC1.CC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)N1CCC(CC(=O)C(C)(C)C)CC1.CC1CN(C(=O)C(C)(C)C)CC(C)O1.CC1CN(C(=O)C(C)(C)C)CCO1.CN1CCC(CC(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one?
The InChIKey is QTXPVQATGDMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C14H26N2O2.C14H27NO.C12H23NO.C11H21NO2.C10H17F2NO.C10H19NO2.C9H20N2.C9H17NO2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5;1-12(2,3)11(14)9-10-5-7-13(4)8-6-10;1-8-6-12(7-9(2)14-8)10(13)11(3,4)5;1-9(2,3)8(14)13-6-4-10(11,12)5-7-13;1-8-7-11(5-6-13-8)9(12)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;11-12H,6-10H2,1-5H3;10H,5-9H2,1-4H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one?
1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one has a molecular weight of 1861.81 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 160518125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).