1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine

C172H337N19O — CID 160758483

IUPAC1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1C2CCCC1CC2.CC(C)(C)CN1CC2(CCCCC2)C1.CC(C)(C)CN1CC2(CNC2)C1.CC(C)(C)CN1CC2CC(C2)C1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)CN1CC2CCC(C2)C1.CC(C)(C)CN1CC2CCC1C2.CC(C)(C)CN1CC2CCC2C1.CC(C)(C)CN1CC2CCCC2C1.CC(C)(C)CN1CCC2(CCC2)CC1.CC(C)(C)CN1CCC2(CCCCC2)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCCC2C1.CC(C)(C)CN1CCN2CCOCC2C1.CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H29N.2C13H25N.C12H24N2O.C12H24N2.3C12H23N.3C11H21N.C10H20N2.C10H19N.C10H21N.C8H18N2/c1-14(2,3)13-16-11-9-15(10-12-16)7-5-4-6-8-15;1-12(2,3)11-14-9-7-13(8-10-14)5-4-6-13;1-12(2,3)9-14-10-13(11-14)7-5-4-6-8-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-12(2,3)10-13-7-8-14-6-4-5-11(14)9-13;1-12(2,3)9-13-7-10-4-5-11(6-10)8-13;1-12(2,3)9-13-7-10-5-4-6-11(10)8-13;1-12(2,3)9-13-10-5-4-6-11(13)8-7-10;1-11(2,3)8-12-6-9-4-10(5-9)7-12;1-11(2,3)8-12-6-9-4-5-10(9)7-12;1-11(2,3)8-12-7-9-4-5-10(12)6-9;1-9(2,3)6-12-7-10(8-12)4-11-5-10;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)9-11-7-5-4-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h4-13H2,1-3H3;2*4-11H2,1-3H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-11H,4-9H2,1-3H3;3*9-10H,4-8H2,1-3H3;11H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyRXSYQRDLRAFUAI-UHFFFAOYSA-N
MW2687.72 g/mol
LogP35.51
Rot. Bonds14

About 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine

1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine (PubChem CID 160758483) has the molecular formula C172H337N19O and a molecular weight of 2687.72 g/mol. Its IUPAC name is 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine.

Molecular Properties

Compound Name1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine
PubChem CID160758483
Molecular FormulaC172H337N19O
Molecular Weight2687.72 g/mol
Exact Mass2685.69
IUPAC Name1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1C2CCCC1CC2.CC(C)(C)CN1CC2(CCCCC2)C1.CC(C)(C)CN1CC2(CNC2)C1.CC(C)(C)CN1CC2CC(C2)C1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)CN1CC2CCC(C2)C1.CC(C)(C)CN1CC2CCC1C2.CC(C)(C)CN1CC2CCC2C1.CC(C)(C)CN1CC2CCCC2C1.CC(C)(C)CN1CCC2(CCC2)CC1.CC(C)(C)CN1CCC2(CCCCC2)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCCC2C1.CC(C)(C)CN1CCN2CCOCC2C1.CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H29N.2C13H25N.C12H24N2O.C12H24N2.3C12H23N.3C11H21N.C10H20N2.C10H19N.C10H21N.C8H18N2/c1-14(2,3)13-16-11-9-15(10-12-16)7-5-4-6-8-15;1-12(2,3)11-14-9-7-13(8-10-14)5-4-6-13;1-12(2,3)9-14-10-13(11-14)7-5-4-6-8-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-12(2,3)10-13-7-8-14-6-4-5-11(14)9-13;1-12(2,3)9-13-7-10-4-5-11(6-10)8-13;1-12(2,3)9-13-7-10-5-4-6-11(10)8-13;1-12(2,3)9-13-10-5-4-6-11(13)8-7-10;1-11(2,3)8-12-6-9-4-10(5-9)7-12;1-11(2,3)8-12-6-9-4-5-10(9)7-12;1-11(2,3)8-12-7-9-4-5-10(12)6-9;1-9(2,3)6-12-7-10(8-12)4-11-5-10;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)9-11-7-5-4-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h4-13H2,1-3H3;2*4-11H2,1-3H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-11H,4-9H2,1-3H3;3*9-10H,4-8H2,1-3H3;11H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyRXSYQRDLRAFUAI-UHFFFAOYSA-N
XLogP35.51
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002687.72
LogP ≤ 535.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine with MolForge

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine;1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2-azabicyclo[3.2.0]heptane;3-azabicyclo[3.2.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3,6-diazabicyclo[3.2.0]heptane
CID 157544755
2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)
CID 159129061
2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;3-tert-butyloxolane;3,7-diazabicyclo[4.2.0]octane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;pentakis(2,2-dimethylpropane);heptakis(2-methylpropane)
CID 159178062
CID 159523083
CID 159523083
3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;bis(2-methyl-2-azabicyclo[2.2.1]heptane);3-methyl-3-azabicyclo[3.2.1]octane;2-methyl-2-azaspiro[4.4]nonane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;4-methylmorpholine;N-methylpiperidin-3-amine;bis(1-methylpiperidine);N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
CID 160889417
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;tris(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 161798130

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine?
The IUPAC name of 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine (CID 160758483) is 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine.
What is the SMILES notation for 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine?
The canonical SMILES for 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine is CC(C)(C)CN1C2CCCC1CC2.CC(C)(C)CN1CC2(CCCCC2)C1.CC(C)(C)CN1CC2(CNC2)C1.CC(C)(C)CN1CC2CC(C2)C1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)CN1CC2CCC(C2)C1.CC(C)(C)CN1CC2CCC1C2.CC(C)(C)CN1CC2CCC2C1.CC(C)(C)CN1CC2CCCC2C1.CC(C)(C)CN1CCC2(CCC2)CC1.CC(C)(C)CN1CCC2(CCCCC2)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCCC2C1.CC(C)(C)CN1CCN2CCOCC2C1.CC(C)(C)N1CCNCC1.
What is the InChIKey of 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine?
The InChIKey is RXSYQRDLRAFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.2C13H25N.C12H24N2O.C12H24N2.3C12H23N.3C11H21N.C10H20N2.C10H19N.C10H21N.C8H18N2/c1-14(2,3)13-16-11-9-15(10-12-16)7-5-4-6-8-15;1-12(2,3)11-14-9-7-13(8-10-14)5-4-6-13;1-12(2,3)9-14-10-13(11-14)7-5-4-6-8-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-12(2,3)10-13-7-8-14-6-4-5-11(14)9-13;1-12(2,3)9-13-7-10-4-5-11(6-10)8-13;1-12(2,3)9-13-7-10-5-4-6-11(10)8-13;1-12(2,3)9-13-10-5-4-6-11(13)8-7-10;1-11(2,3)8-12-6-9-4-10(5-9)7-12;1-11(2,3)8-12-6-9-4-5-10(9)7-12;1-11(2,3)8-12-7-9-4-5-10(12)6-9;1-9(2,3)6-12-7-10(8-12)4-11-5-10;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)9-11-7-5-4-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h4-13H2,1-3H3;2*4-11H2,1-3H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-11H,4-9H2,1-3H3;3*9-10H,4-8H2,1-3H3;11H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine?
1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine has a molecular weight of 2687.72 g/mol, XLogP of 35.51, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)-2-azabicyclo[2.2.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.1]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.0]heptane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;2-(2,2-dimethylpropyl)-2-azaspiro[3.5]nonane;7-(2,2-dimethylpropyl)-7-azaspiro[3.5]nonane;3-(2,2-dimethylpropyl)-3-azaspiro[5.5]undecane;2-(2,2-dimethylpropyl)-2,6-diazaspiro[3.3]heptane;1-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 160758483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).