(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C182H368F8N20 — CID 158884008

IUPAC(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C(F)F)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](CF)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@@H]1C(F)F.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C.CC(F)[C@@H]1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.C9H17F2N.3C9H18FN.C9H17N.6C9H19N.C8H15F2N.C8H15N.2C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-4-5-10(7-12)9(3)11;1-8(2)11-6-9-4-3-5-10(9)7-11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-7(2)12-5-3-4-8(6-12)9(10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-5-3-4-9(6-10)7-11;1-7(2)10-5-8-3-4-9(8)6-10;1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-6(2)11-5-3-4-7(11)8(9)10;1-6(2)9-4-7-3-8(7)5-9;2*1-7(2)9-6-4-5-8(9)3/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t;9?,10-;;;;;;2*9-;;;5*9-;7-;;2*8-/m.1.....10..111001.10/s1
InChIKeyJDJPZJANCKIIBB-APKGTBPPSA-N
MW2989.07 g/mol
LogP42.61
Rot. Bonds25

About (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 158884008) has the molecular formula C182H368F8N20 and a molecular weight of 2989.07 g/mol. Its IUPAC name is (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID158884008
Molecular FormulaC182H368F8N20
Molecular Weight2989.07 g/mol
Exact Mass2986.93
IUPAC Name(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C(F)F)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](CF)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@@H]1C(F)F.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C.CC(F)[C@@H]1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.C9H17F2N.3C9H18FN.C9H17N.6C9H19N.C8H15F2N.C8H15N.2C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-4-5-10(7-12)9(3)11;1-8(2)11-6-9-4-3-5-10(9)7-11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-7(2)12-5-3-4-8(6-12)9(10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-5-3-4-9(6-10)7-11;1-7(2)10-5-8-3-4-9(8)6-10;1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-6(2)11-5-3-4-7(11)8(9)10;1-6(2)9-4-7-3-8(7)5-9;2*1-7(2)9-6-4-5-8(9)3/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t;9?,10-;;;;;;2*9-;;;5*9-;7-;;2*8-/m.1.....10..111001.10/s1
InChIKeyJDJPZJANCKIIBB-APKGTBPPSA-N
XLogP42.61
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.07
LogP ≤ 542.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Launch Full Analysis

Related Compounds

3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157154784
3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpiperidine;(3S)-3-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);bis((3S)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157467214
3,3-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpyrrolidine);tetrakis((3R)-3-methyl-1-propan-2-ylpyrrolidine);bis((3S)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 159355195
2,2-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(2S)-2-ethyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;(2S)-2-(1-fluoroethyl)-1-propan-2-ylpyrrolidine;(2R)-2-(1-fluoroethyl)-1-propan-2-ylpyrrolidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 159774105
3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpiperidine;methane;bis((3S)-3-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159787240
3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;methane;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 160472366
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 160708263
3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylazepane;1-propan-2-ylpiperidine
CID 161070680
CID 161264327
CID 161264327
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 158085346
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine
CID 158455618
2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);bis((3S)-3-methyl-1-propan-2-ylpyrrolidine);2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159025855

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 158884008) is (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C(F)F)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](CF)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@@H]1C(F)F.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C.CC(F)[C@@H]1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.
What is the InChIKey of (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is JDJPZJANCKIIBB-APKGTBPPSA-N. The full InChI is InChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.C9H17F2N.3C9H18FN.C9H17N.6C9H19N.C8H15F2N.C8H15N.2C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-4-5-10(7-12)9(3)11;1-8(2)11-6-9-4-3-5-10(9)7-11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-7(2)12-5-3-4-8(6-12)9(10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-5-3-4-9(6-10)7-11;1-7(2)10-5-8-3-4-9(8)6-10;1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-6(2)11-5-3-4-7(11)8(9)10;1-6(2)9-4-7-3-8(7)5-9;2*1-7(2)9-6-4-5-8(9)3/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t;9?,10-;;;;;;2*9-;;;5*9-;7-;;2*8-/m.1.....10..111001.10/s1.
What are the key properties of (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 2989.07 g/mol, XLogP of 42.61, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethyl)-1-propan-2-ylpiperidine;(2R)-2-(difluoromethyl)-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-(fluoromethyl)-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158884008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).