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

C207H418F11N23 — CID 159774105

IUPAC2,2-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
SMILESCC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1(F)F.CC(C)N1CCCCC1.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](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C(F)(F)F.CC(F)C1CCCN(C(C)C)C1.CC(F)[C@@H]1CCCN1C(C)C.CC(F)[C@H]1CCCN1C(C)C.CC1CCN(C(C)C)CC1.CC[C@@H]1CCCN1C(C)C.CC[C@H]1CCCN1C(C)C
InChIInChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.5C9H18FN.C9H17N.7C9H19N.C8H14F3N.C8H15N.2C8H17N.C7H13F2N/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;1-8(2)11-6-4-5-9(3,10)7-11;2*1-7(2)11-6-4-5-9(11)8(3)10;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;4*1-8(2)10-6-4-5-9(3)7-10;2*1-4-9-6-5-7-10(9)8(2)3;1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)9-4-7-3-8(7)5-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)10-5-3-4-7(10,8)9/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;2*8?,9-;2*9-;;;6*9-;7-;;8-;;/m......1010..1100100.0../s1
InChIKeyNGMUQNNKHWWXCH-XTJBFNIFSA-N
MW3438.76 g/mol
LogP49.47
Rot. Bonds30

About 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

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 (PubChem CID 159774105) has the molecular formula C207H418F11N23 and a molecular weight of 3438.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID159774105
Molecular FormulaC207H418F11N23
Molecular Weight3438.76 g/mol
Exact Mass3436.32
IUPAC Name2,2-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
SMILESCC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1(F)F.CC(C)N1CCCCC1.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](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C(F)(F)F.CC(F)C1CCCN(C(C)C)C1.CC(F)[C@@H]1CCCN1C(C)C.CC(F)[C@H]1CCCN1C(C)C.CC1CCN(C(C)C)CC1.CC[C@@H]1CCCN1C(C)C.CC[C@H]1CCCN1C(C)C
InChIInChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.5C9H18FN.C9H17N.7C9H19N.C8H14F3N.C8H15N.2C8H17N.C7H13F2N/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;1-8(2)11-6-4-5-9(3,10)7-11;2*1-7(2)11-6-4-5-9(11)8(3)10;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;4*1-8(2)10-6-4-5-9(3)7-10;2*1-4-9-6-5-7-10(9)8(2)3;1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)9-4-7-3-8(7)5-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)10-5-3-4-7(10,8)9/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;2*8?,9-;2*9-;;;6*9-;7-;;8-;;/m......1010..1100100.0../s1
InChIKeyNGMUQNNKHWWXCH-XTJBFNIFSA-N
XLogP49.47
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003438.76
LogP ≤ 549.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 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 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
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
(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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1(F)F.CC(C)N1CCCCC1.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](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](CF)C1.CC(C)N1CCC[C@H]1C(F)(F)F.CC(F)C1CCCN(C(C)C)C1.CC(F)[C@@H]1CCCN1C(C)C.CC(F)[C@H]1CCCN1C(C)C.CC1CCN(C(C)C)CC1.CC[C@@H]1CCCN1C(C)C.CC[C@H]1CCCN1C(C)C.
What is the InChIKey of 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?
The InChIKey is NGMUQNNKHWWXCH-XTJBFNIFSA-N. The full InChI is InChI=1S/C11H21N.C10H20FN.C10H19N.2C10H21N.5C9H18FN.C9H17N.7C9H19N.C8H14F3N.C8H15N.2C8H17N.C7H13F2N/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;1-8(2)11-6-4-5-9(3,10)7-11;2*1-7(2)11-6-4-5-9(11)8(3)10;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;4*1-8(2)10-6-4-5-9(3)7-10;2*1-4-9-6-5-7-10(9)8(2)3;1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)9-4-7-3-8(7)5-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)10-5-3-4-7(10,8)9/h9-11H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*7-9H,4-6H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;2*8?,9-;2*9-;;;6*9-;7-;;8-;;/m......1010..1100100.0../s1.
What are the key properties of 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?
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 has a molecular weight of 3438.76 g/mol, XLogP of 49.47, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).