6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C116H229F15N14O — CID 159211090

IUPAC6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1(C(F)(F)F)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1C(F)CNCC1F.CC(C)C1CCNC1.CC(C)C1CNCC1(F)F.CC(C)C1CNCC1F
InChIInChI=1S/C10H18F3N.C10H21N.C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H15F2N.C8H17NO.C8H17N.C7H13F2N.2C7H14FN.C7H15N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-5(2)8-6(9)3-11-4-7(8)10;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-10-4-7(6,8)9;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h14H,4-7H2,1-3H3;11H,5-8H2,1-4H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;5-8,11H,3-4H2,1-2H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-6,10H,3-4H2,1-2H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyKQMRGRKWDPBRCM-UHFFFAOYSA-N
MW2121.17 g/mol
LogP25.00
Rot. Bonds7

About 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 159211090) has the molecular formula C116H229F15N14O and a molecular weight of 2121.17 g/mol. Its IUPAC name is 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID159211090
Molecular FormulaC116H229F15N14O
Molecular Weight2121.17 g/mol
Exact Mass2119.81
IUPAC Name6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1(C(F)(F)F)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1C(F)CNCC1F.CC(C)C1CCNC1.CC(C)C1CNCC1(F)F.CC(C)C1CNCC1F
InChIInChI=1S/C10H18F3N.C10H21N.C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H15F2N.C8H17NO.C8H17N.C7H13F2N.2C7H14FN.C7H15N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-5(2)8-6(9)3-11-4-7(8)10;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-10-4-7(6,8)9;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h14H,4-7H2,1-3H3;11H,5-8H2,1-4H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;5-8,11H,3-4H2,1-2H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-6,10H,3-4H2,1-2H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyKQMRGRKWDPBRCM-UHFFFAOYSA-N
XLogP25.00
TPSA177.65 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002121.17
LogP ≤ 525.00
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine with MolForge

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Related Compounds

6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3-fluoro-3-methylpiperidine;4-tert-butyl-3-fluoro-5-methylpiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-methyl-4-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 157119688
6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;methane;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 157172424
6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3-fluoro-3-methylpiperidine;4-tert-butyl-3-fluoro-5-methylpiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;methane;3-methyl-3-propan-2-ylpyrrolidine;3-methyl-4-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 157589100
4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-pyrrolidin-2-ylpiperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 158334799
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158684961
3a-methyl-6-propan-2-yl-1,2,3,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;3-fluoro-3-methyl-4-propan-2-ylpiperidine;3-fluoro-5-methyl-4-propan-2-ylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;4-fluoro-4-propan-2-ylpiperidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;methane;1-methyl-4-propan-2-yl-1,4-diazepane;N-methyl-1-propan-2-ylpiperidin-4-amine;bis(4-methyl-4-propan-2-ylpiperidine);3-methyl-3-propan-2-ylpyrrolidine;6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-1,4-diazepane;2-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 158817662
4-cyclopropyl-1-(2-methylpropyl)piperidine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;2,6-dimethyl-1-(2-methylpropyl)piperidine;4,4-dimethyl-1-(2-methylpropyl)piperidine;2,5-dimethyl-1-(2-methylpropyl)pyrrolidine;4-ethyl-1-(2-methylpropyl)piperidine;4-methoxy-1-(2-methylpropyl)piperidine;3-methoxy-1-(2-methylpropyl)pyrrolidine;2-methyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine;4-methyl-1-(2-methylpropyl)piperidine;2-methyl-1-(2-methylpropyl)pyrrolidine;3-methyl-1-(2-methylpropyl)pyrrolidine;6-(2-methylpropyl)-6-azaspiro[2.5]octane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine;1-(2-methylpropyl)-4-(trifluoromethyl)piperidine
CID 159367361
6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3-fluoro-3-methylpiperidine;4-tert-butyl-3-fluoro-5-methylpiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 159504145
3a-methyl-6-propan-2-yl-1,2,3,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-fluoro-4-propan-2-ylpiperidine;3-fluoro-3-propan-2-ylpyrrolidine;1-methyl-4-propan-2-yl-1,4-diazepane;N-methyl-1-propan-2-ylpiperidin-4-amine;bis(4-methyl-4-propan-2-ylpiperidine);3-methyl-3-propan-2-ylpyrrolidine;3-methyl-4-propan-2-ylpyrrolidine;6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-1,4-diazepane;2-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 159553039
6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 159569855
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159599369
6-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 159694658

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 159211090) is 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)(C)C1(C(F)(F)F)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1C(F)CNCC1F.CC(C)C1CCNC1.CC(C)C1CNCC1(F)F.CC(C)C1CNCC1F.
What is the InChIKey of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is KQMRGRKWDPBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N.C10H21N.C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H15F2N.C8H17NO.C8H17N.C7H13F2N.2C7H14FN.C7H15N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-5(2)8-6(9)3-11-4-7(8)10;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-10-4-7(6,8)9;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h14H,4-7H2,1-3H3;11H,5-8H2,1-4H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;5-8,11H,3-4H2,1-2H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-6,10H,3-4H2,1-2H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 2121.17 g/mol, XLogP of 25.00, 7 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;4-tert-butyl-4-methylpiperidine;2-tert-butylmorpholine;4-tert-butylpiperidine;4-tert-butyl-4-(trifluoromethyl)piperidine;3,5-difluoro-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 159211090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).