3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one

C126H230F5N13O29 — CID 162281828

IUPAC3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one
SMILESCC(C)OC1C(F)CN(C(=O)CO)CC1(C)C.CC(C)OC1C(F)CNCC1(C)C.CC(C)O[C@@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCCN(C(=O)CO)C1.CC(C)O[C@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@H]1CCN(C(=O)CC#N)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1F
InChIInChI=1S/C13H19FN2O2.C12H22FNO3.4C12H23NO3.C11H16F2N2O2.2C11H21NO3.C10H20FNO.C10H19NO3/c1-9(2)18-12-4-6-16(8-11(12)14)13(17)10-3-5-15-7-10;1-8(2)17-11-9(13)5-14(10(16)6-15)7-12(11,3)4;4*1-8(2)16-11-5-6-13(9(3)7-11)12(15)10(4)14;1-8(2)17-9-4-6-15(7-11(9,12)13)10(16)3-5-14;2*1-8(2)15-10-5-4-6-12(7-10)11(14)9(3)13;1-7(2)13-9-8(11)5-12-6-10(9,3)4;1-8(2)14-9-4-3-5-11(6-9)10(13)7-12/h3,5,7,9,11-12,15H,4,6,8H2,1-2H3;8-9,11,15H,5-7H2,1-4H3;4*8-11,14H,5-7H2,1-4H3;8-9H,3-4,6-7H2,1-2H3;2*8-10,13H,4-7H2,1-3H3;7-9,12H,5-6H2,1-4H3;8-9,12H,3-7H2,1-2H3/t11-,12+;;9-,10+,11+;9-,10+,11-;9-,10-,11+;9-,10-,11-;9-;9-,10+;9-,10-;;9-/m1.1111000.0/s1
InChIKeyPKCPWELEKNCNKF-JUHZTMALSA-N
MW2486.28 g/mol
LogP12.93
Rot. Bonds32

About 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one

3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one (PubChem CID 162281828) has the molecular formula C126H230F5N13O29 and a molecular weight of 2486.28 g/mol. Its IUPAC name is 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one
PubChem CID162281828
Molecular FormulaC126H230F5N13O29
Molecular Weight2486.28 g/mol
Exact Mass2484.68
IUPAC Name3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one
SMILESCC(C)OC1C(F)CN(C(=O)CO)CC1(C)C.CC(C)OC1C(F)CNCC1(C)C.CC(C)O[C@@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCCN(C(=O)CO)C1.CC(C)O[C@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@H]1CCN(C(=O)CC#N)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1F
InChIInChI=1S/C13H19FN2O2.C12H22FNO3.4C12H23NO3.C11H16F2N2O2.2C11H21NO3.C10H20FNO.C10H19NO3/c1-9(2)18-12-4-6-16(8-11(12)14)13(17)10-3-5-15-7-10;1-8(2)17-11-9(13)5-14(10(16)6-15)7-12(11,3)4;4*1-8(2)16-11-5-6-13(9(3)7-11)12(15)10(4)14;1-8(2)17-9-4-6-15(7-11(9,12)13)10(16)3-5-14;2*1-8(2)15-10-5-4-6-12(7-10)11(14)9(3)13;1-7(2)13-9-8(11)5-12-6-10(9,3)4;1-8(2)14-9-4-3-5-11(6-9)10(13)7-12/h3,5,7,9,11-12,15H,4,6,8H2,1-2H3;8-9,11,15H,5-7H2,1-4H3;4*8-11,14H,5-7H2,1-4H3;8-9H,3-4,6-7H2,1-2H3;2*8-10,13H,4-7H2,1-3H3;7-9,12H,5-6H2,1-4H3;8-9,12H,3-7H2,1-2H3/t11-,12+;;9-,10+,11+;9-,10+,11-;9-,10-,11+;9-,10-,11-;9-;9-,10+;9-,10-;;9-/m1.1111000.0/s1
InChIKeyPKCPWELEKNCNKF-JUHZTMALSA-N
XLogP12.93
TPSA518.08 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.28
LogP ≤ 512.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
bis(cyclohexyl-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone);cyclopentyl-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one;[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3S)-3-[(3R)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(3R)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrazol-4-yl)methanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 162281837
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
3-[(3S)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropanenitrile
CID 129494785
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one;1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3H-pyrazol-4-yl)methanone;methane;(5-methyl-1H-1,2,4-triazol-3-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone;1,3-oxazol-4-yl-(4-propan-2-yloxypiperidin-1-yl)methanone;1,3-oxazol-5-yl-(4-propan-2-yloxypiperidin-1-yl)methanone;N-propan-2-yloxan-4-amine
CID 158602157
cyclopentyl-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)methanone
CID 162278259
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
[(3S)-1-(2-cyanoacetyl)piperidin-3-yl] N-[(1R)-2-(4-fluorophenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]carbamate
CID 142596177
2-[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 131747058
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246905

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one (CID 162281828) is 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one is CC(C)OC1C(F)CN(C(=O)CO)CC1(C)C.CC(C)OC1C(F)CNCC1(C)C.CC(C)O[C@@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCCN(C(=O)CO)C1.CC(C)O[C@H]1CCCN(C(=O)[C@H](C)O)C1.CC(C)O[C@H]1CCN(C(=O)CC#N)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)[C@@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)[C@H](C)O)[C@H](C)C1.CC(C)O[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1F.
What is the InChIKey of 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one?
The InChIKey is PKCPWELEKNCNKF-JUHZTMALSA-N. The full InChI is InChI=1S/C13H19FN2O2.C12H22FNO3.4C12H23NO3.C11H16F2N2O2.2C11H21NO3.C10H20FNO.C10H19NO3/c1-9(2)18-12-4-6-16(8-11(12)14)13(17)10-3-5-15-7-10;1-8(2)17-11-9(13)5-14(10(16)6-15)7-12(11,3)4;4*1-8(2)16-11-5-6-13(9(3)7-11)12(15)10(4)14;1-8(2)17-9-4-6-15(7-11(9,12)13)10(16)3-5-14;2*1-8(2)15-10-5-4-6-12(7-10)11(14)9(3)13;1-7(2)13-9-8(11)5-12-6-10(9,3)4;1-8(2)14-9-4-3-5-11(6-9)10(13)7-12/h3,5,7,9,11-12,15H,4,6,8H2,1-2H3;8-9,11,15H,5-7H2,1-4H3;4*8-11,14H,5-7H2,1-4H3;8-9H,3-4,6-7H2,1-2H3;2*8-10,13H,4-7H2,1-3H3;7-9,12H,5-6H2,1-4H3;8-9,12H,3-7H2,1-2H3/t11-,12+;;9-,10+,11+;9-,10+,11-;9-,10-,11+;9-,10-,11-;9-;9-,10+;9-,10-;;9-/m1.1111000.0/s1.
What are the key properties of 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one?
3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one has a molecular weight of 2486.28 g/mol, XLogP of 12.93, 32 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;1-(5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(1H-pyrrol-3-yl)methanone;(2R)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4S)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2R)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(2R,4R)-2-methyl-4-propan-2-yloxypiperidin-1-yl]propan-1-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]ethanone;(2S)-2-hydroxy-1-[(3S)-3-propan-2-yloxypiperidin-1-yl]propan-1-one;(2S)-2-hydroxy-1-[(3R)-3-propan-2-yloxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 162281828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).