tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine

C274H584F9N27 — CID 164962937

IUPACtris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF
InChIInChI=1S/C12H24.4C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.7C9H19N.8C2H6.CH3F/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;3*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;5*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2/h9-12H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;7*7-9H,5-6H2,1-4H3;8*1-2H3;1H3
InChIKeyCCBAGSYMWDTYIN-UHFFFAOYSA-N
MW4428.86 g/mol
LogP71.53
Rot. Bonds50

About tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine

tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine (PubChem CID 164962937) has the molecular formula C274H584F9N27 and a molecular weight of 4428.86 g/mol. Its IUPAC name is tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine.

Molecular Properties

Compound Nametris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
PubChem CID164962937
Molecular FormulaC274H584F9N27
Molecular Weight4428.86 g/mol
Exact Mass4425.64
IUPAC Nametris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF
InChIInChI=1S/C12H24.4C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.7C9H19N.8C2H6.CH3F/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;3*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;5*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2/h9-12H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;7*7-9H,5-6H2,1-4H3;8*1-2H3;1H3
InChIKeyCCBAGSYMWDTYIN-UHFFFAOYSA-N
XLogP71.53
TPSA87.48 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds50
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004428.86
LogP ≤ 571.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine with MolForge

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Related Compounds

3,3-Dimethylbutylcyclobutane;3,3-dimethylbutylcyclohexane;3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-(3,3-dimethylbutyl)-3,3-difluoroazetidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2,2-dimethylpyrrolidine;1-(3,3-dimethylbutyl)-5,5-difluoro-2-methylpiperidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2-methylpyrrolidine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;1-(3,3-dimethylbutyl)-3,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,5-difluoropiperidine;1-(3,3-dimethylbutyl)-4,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,4-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,3-dimethylazetidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpiperidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-fluoropyrrolidine;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)azetidine
CID 157392802
2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(4R)-1,3-ditert-butyl-4-fluoropyrrolidine;(4S)-1,3-ditert-butyl-4-fluoropyrrolidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 157647560
3,3-Dimethylbutylcyclobutane;3,3-dimethylbutylcyclohexane;3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-(3,3-dimethylbutyl)-3,3-difluoroazetidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2,2-dimethylpyrrolidine;1-(3,3-dimethylbutyl)-5,5-difluoro-2-methylpiperidine;1-(3,3-dimethylbutyl)-4,4-difluoro-2-methylpyrrolidine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;1-(3,3-dimethylbutyl)-3,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,5-difluoropiperidine;1-(3,3-dimethylbutyl)-4,4-difluoropiperidine;1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,4-difluoropyrrolidine;1-(3,3-dimethylbutyl)-3,3-dimethylazetidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpiperidine;1-(3,3-dimethylbutyl)-3-fluoro-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-methylpyrrolidine;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)azetidine
CID 161655987
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 164952074
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164985381
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine;bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165012816
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 167579403
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 167581014
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 168417152
Bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 165041581
Bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 165075427
Bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 168412354

Frequently Asked Questions

What is the IUPAC name of tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The IUPAC name of tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine (CID 164962937) is tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine.
What is the SMILES notation for tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The canonical SMILES for tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF.
What is the InChIKey of tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The InChIKey is CCBAGSYMWDTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.4C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.7C9H19N.8C2H6.CH3F/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;3*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;5*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2/h9-12H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;7*7-9H,5-6H2,1-4H3;8*1-2H3;1H3.
What are the key properties of tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine has a molecular weight of 4428.86 g/mol, XLogP of 71.53, 50 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine is sourced from PubChem (CID 164962937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).