3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol

C158H303F6N17O33S — CID 159334672

IUPAC3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC2(CCO2)C1.CC(C)N1CCC2(C1)OCCO2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCO2)C1.CC(C)N1CCC2(COC2)C1.CC(C)N1CC[C@H](O)C1.CC(C)NC1CCOCC1.CC(C)OC1C2CC1CN(C(=O)CO)C2.CC(C)OC1CCCCC1.CC(C)OC1CCN(C(=O)[C@@H](C)O)CC1.CC(C)OC1CCNCC1(F)F.CC(C)OC1CN(C(=O)CO)C1.CC(C)OC1CN(S(C)(=O)=O)C1.CC(C)O[C@@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@@H]1CN(C(=O)CO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@H]1CCOC1.COC1CN(C(C)C)C1
InChIInChI=1S/C11H22N2.C11H19NO3.C11H21NO3.2C10H18FNO3.C9H15F2NO3.C9H17NO2.2C9H17NO.C9H18O.C8H15F2NO.C8H15NO3.C8H15NO.C8H17NO.C7H15NO3S.2C7H15NO.C7H14O2/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-7(2)15-11-8-3-9(11)5-12(4-8)10(14)6-13;1-8(2)15-10-4-6-12(7-5-10)11(14)9(3)13;2*1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13;1-6(2)15-7-3-12(8(14)4-13)5-9(7,10)11;1-8(2)10-4-3-9(7-10)11-5-6-12-9;1-8(2)10-5-3-9(7-10)4-6-11-9;1-8(2)10-4-3-9(5-10)6-11-7-9;1-8(2)10-9-6-4-3-5-7-9;1-6(2)12-7-3-4-11-5-8(7,9)10;1-6(2)12-7-3-9(4-7)8(11)5-10;1-7(2)9-5-8(6-9)3-4-10-8;1-7(2)9-8-3-5-10-6-4-8;1-6(2)11-7-4-8(5-7)12(3,9)10;1-6(2)8-4-7(5-8)9-3;1-6(2)8-4-3-7(9)5-8;1-6(2)9-7-3-4-8-5-7/h10H,4-9H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;8-10,13H,4-7H2,1-3H3;2*7-9,13H,3-6H2,1-2H3;6-7,13H,3-5H2,1-2H3;8H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-7,10H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3/t;;9-;8-,9+;8-,9-;7-;;;;;;;;;;;2*7-/m..1001..........00/s1
InChIKeyLFJMKOHDJMDGEC-WGYZONSCSA-N
MW3115.30 g/mol
LogP14.85
Rot. Bonds37

About 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol

3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 159334672) has the molecular formula C158H303F6N17O33S and a molecular weight of 3115.30 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID159334672
Molecular FormulaC158H303F6N17O33S
Molecular Weight3115.30 g/mol
Exact Mass3113.22
IUPAC Name3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC2(CCO2)C1.CC(C)N1CCC2(C1)OCCO2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCO2)C1.CC(C)N1CCC2(COC2)C1.CC(C)N1CC[C@H](O)C1.CC(C)NC1CCOCC1.CC(C)OC1C2CC1CN(C(=O)CO)C2.CC(C)OC1CCCCC1.CC(C)OC1CCN(C(=O)[C@@H](C)O)CC1.CC(C)OC1CCNCC1(F)F.CC(C)OC1CN(C(=O)CO)C1.CC(C)OC1CN(S(C)(=O)=O)C1.CC(C)O[C@@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@@H]1CN(C(=O)CO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@H]1CCOC1.COC1CN(C(C)C)C1
InChIInChI=1S/C11H22N2.C11H19NO3.C11H21NO3.2C10H18FNO3.C9H15F2NO3.C9H17NO2.2C9H17NO.C9H18O.C8H15F2NO.C8H15NO3.C8H15NO.C8H17NO.C7H15NO3S.2C7H15NO.C7H14O2/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-7(2)15-11-8-3-9(11)5-12(4-8)10(14)6-13;1-8(2)15-10-4-6-12(7-5-10)11(14)9(3)13;2*1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13;1-6(2)15-7-3-12(8(14)4-13)5-9(7,10)11;1-8(2)10-4-3-9(7-10)11-5-6-12-9;1-8(2)10-5-3-9(7-10)4-6-11-9;1-8(2)10-4-3-9(5-10)6-11-7-9;1-8(2)10-9-6-4-3-5-7-9;1-6(2)12-7-3-4-11-5-8(7,9)10;1-6(2)12-7-3-9(4-7)8(11)5-10;1-7(2)9-5-8(6-9)3-4-10-8;1-7(2)9-8-3-5-10-6-4-8;1-6(2)11-7-4-8(5-7)12(3,9)10;1-6(2)8-4-7(5-8)9-3;1-6(2)8-4-3-7(9)5-8;1-6(2)9-7-3-4-8-5-7/h10H,4-9H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;8-10,13H,4-7H2,1-3H3;2*7-9,13H,3-6H2,1-2H3;6-7,13H,3-5H2,1-2H3;8H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-7,10H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3/t;;9-;8-,9+;8-,9-;7-;;;;;;;;;;;2*7-/m..1001..........00/s1
InChIKeyLFJMKOHDJMDGEC-WGYZONSCSA-N
XLogP14.85
TPSA516.97 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003115.30
LogP ≤ 514.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol (CID 159334672) is 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CC2(CCO2)C1.CC(C)N1CCC2(C1)OCCO2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCO2)C1.CC(C)N1CCC2(COC2)C1.CC(C)N1CC[C@H](O)C1.CC(C)NC1CCOCC1.CC(C)OC1C2CC1CN(C(=O)CO)C2.CC(C)OC1CCCCC1.CC(C)OC1CCN(C(=O)[C@@H](C)O)CC1.CC(C)OC1CCNCC1(F)F.CC(C)OC1CN(C(=O)CO)C1.CC(C)OC1CN(S(C)(=O)=O)C1.CC(C)O[C@@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@@H]1CN(C(=O)CO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F.CC(C)O[C@H]1CCOC1.COC1CN(C(C)C)C1.
What is the InChIKey of 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is LFJMKOHDJMDGEC-WGYZONSCSA-N. The full InChI is InChI=1S/C11H22N2.C11H19NO3.C11H21NO3.2C10H18FNO3.C9H15F2NO3.C9H17NO2.2C9H17NO.C9H18O.C8H15F2NO.C8H15NO3.C8H15NO.C8H17NO.C7H15NO3S.2C7H15NO.C7H14O2/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-7(2)15-11-8-3-9(11)5-12(4-8)10(14)6-13;1-8(2)15-10-4-6-12(7-5-10)11(14)9(3)13;2*1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13;1-6(2)15-7-3-12(8(14)4-13)5-9(7,10)11;1-8(2)10-4-3-9(7-10)11-5-6-12-9;1-8(2)10-5-3-9(7-10)4-6-11-9;1-8(2)10-4-3-9(5-10)6-11-7-9;1-8(2)10-9-6-4-3-5-7-9;1-6(2)12-7-3-4-11-5-8(7,9)10;1-6(2)12-7-3-9(4-7)8(11)5-10;1-7(2)9-5-8(6-9)3-4-10-8;1-7(2)9-8-3-5-10-6-4-8;1-6(2)11-7-4-8(5-7)12(3,9)10;1-6(2)8-4-7(5-8)9-3;1-6(2)8-4-3-7(9)5-8;1-6(2)9-7-3-4-8-5-7/h10H,4-9H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;8-10,13H,4-7H2,1-3H3;2*7-9,13H,3-6H2,1-2H3;6-7,13H,3-5H2,1-2H3;8H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-7,10H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3/t;;9-;8-,9+;8-,9-;7-;;;;;;;;;;;2*7-/m..1001..........00/s1.
What are the key properties of 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol?
3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 3115.30 g/mol, XLogP of 14.85, 37 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yloxypiperidine;1-[(4R)-3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone;1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;1-[(3S,4R)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-(6-propan-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone;2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)ethanone;(2R)-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylazetidine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methylsulfonyl-3-propan-2-yloxyazetidine;7-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane;6-propan-2-yl-1-oxa-6-azaspiro[3.3]heptane;7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane;N-propan-2-yloxan-4-amine;propan-2-yloxycyclohexane;(3S)-3-propan-2-yloxyoxolane;(3S)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 159334672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).