2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

C223H456F2N18 — CID 159977495

IUPAC2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1F.CC(C)(C)N1CC(C)(C(C)(C)C)C1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC(F)(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.CCC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C16H31N.2C15H29N.3C15H31N.C14H30N2.3C14H29N.2C13H26FN.2C13H27N.C12H26N2.C12H25N/c1-14(2,3)13-7-9-16(10-8-13)11-17(12-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12;1-8-13-11-12(14(2,3)4)9-10-16(13)15(5,6)7;1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6;1-12(2,3)10-7-8-15(9-11(10)14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)12(7)8-13(9-12)11(4,5)6/h13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11-13H,9-10H2,1-8H3;12H,9-11H2,1-8H3;12-13H,8-11H2,1-7H3;9-11H2,1-8H3;8-11H2,1-7H3;2*11-12H,8-10H2,1-7H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;8-9H2,1-7H3
InChIKeyOFINSZYBURKJBJ-UHFFFAOYSA-N
MW3428.22 g/mol
LogP59.21
Rot. Bonds1

About 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (PubChem CID 159977495) has the molecular formula C223H456F2N18 and a molecular weight of 3428.22 g/mol. Its IUPAC name is 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

Molecular Properties

Compound Name2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
PubChem CID159977495
Molecular FormulaC223H456F2N18
Molecular Weight3428.22 g/mol
Exact Mass3425.62
IUPAC Name2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1F.CC(C)(C)N1CC(C)(C(C)(C)C)C1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC(F)(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.CCC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C16H31N.2C15H29N.3C15H31N.C14H30N2.3C14H29N.2C13H26FN.2C13H27N.C12H26N2.C12H25N/c1-14(2,3)13-7-9-16(10-8-13)11-17(12-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12;1-8-13-11-12(14(2,3)4)9-10-16(13)15(5,6)7;1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6;1-12(2,3)10-7-8-15(9-11(10)14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)12(7)8-13(9-12)11(4,5)6/h13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11-13H,9-10H2,1-8H3;12H,9-11H2,1-8H3;12-13H,8-11H2,1-7H3;9-11H2,1-8H3;8-11H2,1-7H3;2*11-12H,8-10H2,1-7H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;8-9H2,1-7H3
InChIKeyOFINSZYBURKJBJ-UHFFFAOYSA-N
XLogP59.21
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds1
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003428.22
LogP ≤ 559.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636
1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine
CID 162059599
1,4-ditert-butyl-5,5,7-trimethyl-1,4-diazocane
CID 138627615
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
1-tert-butyl-4-[(4-tert-butyl-2-methylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 176629808
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.5]nonane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 157148093
2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
CID 170068685
4-tert-butyl-2,3-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2,6-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2-methyl-1-propan-2-ylpiperidine;4-tert-butyl-3-methyl-1-propan-2-ylpiperidine;4-tert-butyl-4-methyl-1-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;4-tert-butyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;5-tert-butyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane;10-tert-butyl-7-propan-2-yl-7-azaspiro[4.5]decane;4-tert-butyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine;bis(1,4-ditert-butylazepane);1,3-ditert-butylpyrrolidine;2,2-dimethylpropane;3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane;2-propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 159777376
bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 167612947
4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))
CID 160709536
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol
CID 158548257
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
CID 172511742

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The IUPAC name of 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (CID 159977495) is 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).
What is the SMILES notation for 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The canonical SMILES for 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is CC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1F.CC(C)(C)N1CC(C)(C(C)(C)C)C1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC(F)(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.CCC1CC(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The InChIKey is OFINSZYBURKJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.2C15H29N.3C15H31N.C14H30N2.3C14H29N.2C13H26FN.2C13H27N.C12H26N2.C12H25N/c1-14(2,3)13-7-9-16(10-8-13)11-17(12-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12;1-8-13-11-12(14(2,3)4)9-10-16(13)15(5,6)7;1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6;1-12(2,3)10-7-8-15(9-11(10)14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)12(7)8-13(9-12)11(4,5)6/h13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11-13H,9-10H2,1-8H3;12H,9-11H2,1-8H3;12-13H,8-11H2,1-7H3;9-11H2,1-8H3;8-11H2,1-7H3;2*11-12H,8-10H2,1-7H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;8-9H2,1-7H3.
What are the key properties of 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) has a molecular weight of 3428.22 g/mol, XLogP of 59.21, 1 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,7-ditert-butyl-2-azaspiro[3.5]nonane;2,6-ditert-butyl-6-azaspiro[3.4]octane;1,4-ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-ethylpiperidine;1,4-ditert-butyl-3-fluoropiperidine;1,4-ditert-butyl-4-fluoropiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 159977495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).