1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

C173H353N27O5 — CID 158766648

IUPAC1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(C2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C21H43N3O.C20H41N3O.C17H35N3O.2C17H34N2O.C17H34N2.4C16H33N3/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6;1-19(2,3)22-9-7-18(8-10-22)17-24-16-15-21-11-13-23(14-12-21)20(4,5)6;1-16(2,3)19-9-7-18(8-10-19)11-12-21-15-13-20(14-15)17(4,5)6;2*1-16(2,3)19-9-7-18(8-10-19)13-14-11-15(12-14)20-17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;3*1-15(2,3)18-11-9-17(10-12-18)14-7-8-19(13-14)16(4,5)6/h19H,7-18H2,1-6H3;18H,7-17H2,1-6H3;15H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;4*14H,7-13H2,1-6H3/t;;;;;;;2*14-;/m.......10./s1
InChIKeyIPIPJGUDIBPRFS-KVDNKKTLSA-N
MW2891.91 g/mol
LogP26.72
Rot. Bonds26

About 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (PubChem CID 158766648) has the molecular formula C173H353N27O5 and a molecular weight of 2891.91 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
PubChem CID158766648
Molecular FormulaC173H353N27O5
Molecular Weight2891.91 g/mol
Exact Mass2889.82
IUPAC Name1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(C2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C21H43N3O.C20H41N3O.C17H35N3O.2C17H34N2O.C17H34N2.4C16H33N3/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6;1-19(2,3)22-9-7-18(8-10-22)17-24-16-15-21-11-13-23(14-12-21)20(4,5)6;1-16(2,3)19-9-7-18(8-10-19)11-12-21-15-13-20(14-15)17(4,5)6;2*1-16(2,3)19-9-7-18(8-10-19)13-14-11-15(12-14)20-17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;3*1-15(2,3)18-11-9-17(10-12-18)14-7-8-19(13-14)16(4,5)6/h19H,7-18H2,1-6H3;18H,7-17H2,1-6H3;15H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;4*14H,7-13H2,1-6H3/t;;;;;;;2*14-;/m.......10./s1
InChIKeyIPIPJGUDIBPRFS-KVDNKKTLSA-N
XLogP26.72
TPSA133.63 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002891.91
LogP ≤ 526.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (CID 158766648) is 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(C2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN([C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CC(CN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is IPIPJGUDIBPRFS-KVDNKKTLSA-N. The full InChI is InChI=1S/C21H43N3O.C20H41N3O.C17H35N3O.2C17H34N2O.C17H34N2.4C16H33N3/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6;1-19(2,3)22-9-7-18(8-10-22)17-24-16-15-21-11-13-23(14-12-21)20(4,5)6;1-16(2,3)19-9-7-18(8-10-19)11-12-21-15-13-20(14-15)17(4,5)6;2*1-16(2,3)19-9-7-18(8-10-19)13-14-11-15(12-14)20-17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;3*1-15(2,3)18-11-9-17(10-12-18)14-7-8-19(13-14)16(4,5)6/h19H,7-18H2,1-6H3;18H,7-17H2,1-6H3;15H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;4*14H,7-13H2,1-6H3/t;;;;;;;2*14-;/m.......10./s1.
What are the key properties of 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 2891.91 g/mol, XLogP of 26.72, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[2-[(1-tert-butylpiperidin-4-yl)methoxy]ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperazine;1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine;bis(1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine);3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 158766648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).