3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine

C126H224F10N16O4 — CID 160797400

IUPAC3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine
SMILESCC(C)C1C(F)CN(C)CC1F.CC(C)C1C(F)CNCC1F.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN2C(=O)CN(C)C2C1.CC(C)C1CCN2C(=O)OCC2C1.CC(C)C1CCNCC1(F)F.CC(C)C1CCNCC1F.CC(C)C1CCn2cccc2C1.CC(C)C1CCn2ccnc2C1.Cc1cc(C)n2c1CC(C(C)C)CC2.Cc1cnc2n1CCC(C(C)C)C2
InChIInChI=1S/C13H21N.C11H20N2O.C11H18N2.C11H17N.C10H16N2.C10H17NO2.2C9H17F2N.C9H18FN.C9H17NO.2C8H15F2N.C8H16FN/c1-9(2)12-5-6-14-11(4)7-10(3)13(14)8-12;1-8(2)9-4-5-13-10(6-9)12(3)7-11(13)14;1-8(2)10-4-5-13-9(3)7-12-11(13)6-10;1-9(2)10-5-7-12-6-3-4-11(12)8-10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-4-11-9(5-8)6-13-10(11)12;1-6(2)9-7(10)4-12(3)5-8(9)11;1-7(2)8-4-5-12(3)6-9(8,10)11;1-7(2)8-4-5-11(3)6-9(8)10;1-7(2)8-4-5-10(3)9(11)6-8;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-4-11-5-8(7,9)10;1-6(2)7-3-4-10-5-8(7)9/h7,9,12H,5-6,8H2,1-4H3;8-10H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;3-4,6,9-10H,5,7-8H2,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-8,11H,3-4H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-8,10H,3-5H2,1-2H3
InChIKeySCPRQJTZIPLMOM-UHFFFAOYSA-N
MW2217.27 g/mol
LogP26.13
Rot. Bonds13

About 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine

3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine (PubChem CID 160797400) has the molecular formula C126H224F10N16O4 and a molecular weight of 2217.27 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine
PubChem CID160797400
Molecular FormulaC126H224F10N16O4
Molecular Weight2217.27 g/mol
Exact Mass2215.77
IUPAC Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine
SMILESCC(C)C1C(F)CN(C)CC1F.CC(C)C1C(F)CNCC1F.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN2C(=O)CN(C)C2C1.CC(C)C1CCN2C(=O)OCC2C1.CC(C)C1CCNCC1(F)F.CC(C)C1CCNCC1F.CC(C)C1CCn2cccc2C1.CC(C)C1CCn2ccnc2C1.Cc1cc(C)n2c1CC(C(C)C)CC2.Cc1cnc2n1CCC(C(C)C)C2
InChIInChI=1S/C13H21N.C11H20N2O.C11H18N2.C11H17N.C10H16N2.C10H17NO2.2C9H17F2N.C9H18FN.C9H17NO.2C8H15F2N.C8H16FN/c1-9(2)12-5-6-14-11(4)7-10(3)13(14)8-12;1-8(2)9-4-5-13-10(6-9)12(3)7-11(13)14;1-8(2)10-4-5-13-9(3)7-12-11(13)6-10;1-9(2)10-5-7-12-6-3-4-11(12)8-10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-4-11-9(5-8)6-13-10(11)12;1-6(2)9-7(10)4-12(3)5-8(9)11;1-7(2)8-4-5-12(3)6-9(8,10)11;1-7(2)8-4-5-11(3)6-9(8)10;1-7(2)8-4-5-10(3)9(11)6-8;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-4-11-5-8(7,9)10;1-6(2)7-3-4-10-5-8(7)9/h7,9,12H,5-6,8H2,1-4H3;8-10H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;3-4,6,9-10H,5,7-8H2,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-8,11H,3-4H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-8,10H,3-5H2,1-2H3
InChIKeySCPRQJTZIPLMOM-UHFFFAOYSA-N
XLogP26.13
TPSA164.71 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002217.27
LogP ≤ 526.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine with MolForge

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Related Compounds

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[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
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[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
(2S)-2-[[2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]-3-phenylpropanoic acid
CID 142462928
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
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[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,5-dimethylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)-5-methylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 157152889
(2S)-2-[[4-morpholin-4-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[6-pyrrolidin-1-yl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
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3-[4-(3,3-Dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2,2-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
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(7R)-7-[(2S)-butan-2-yl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-7-cyclopropyl-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclohexane]-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-(4-methylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-5-(2-methoxyethyl)-2-(4-phenylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
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CID 157766882

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine (CID 160797400) is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine is CC(C)C1C(F)CN(C)CC1F.CC(C)C1C(F)CNCC1F.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN2C(=O)CN(C)C2C1.CC(C)C1CCN2C(=O)OCC2C1.CC(C)C1CCNCC1(F)F.CC(C)C1CCNCC1F.CC(C)C1CCn2cccc2C1.CC(C)C1CCn2ccnc2C1.Cc1cc(C)n2c1CC(C(C)C)CC2.Cc1cnc2n1CCC(C(C)C)C2.
What is the InChIKey of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine?
The InChIKey is SCPRQJTZIPLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C11H20N2O.C11H18N2.C11H17N.C10H16N2.C10H17NO2.2C9H17F2N.C9H18FN.C9H17NO.2C8H15F2N.C8H16FN/c1-9(2)12-5-6-14-11(4)7-10(3)13(14)8-12;1-8(2)9-4-5-13-10(6-9)12(3)7-11(13)14;1-8(2)10-4-5-13-9(3)7-12-11(13)6-10;1-9(2)10-5-7-12-6-3-4-11(12)8-10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-4-11-9(5-8)6-13-10(11)12;1-6(2)9-7(10)4-12(3)5-8(9)11;1-7(2)8-4-5-12(3)6-9(8,10)11;1-7(2)8-4-5-11(3)6-9(8)10;1-7(2)8-4-5-10(3)9(11)6-8;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-4-11-5-8(7,9)10;1-6(2)7-3-4-10-5-8(7)9/h7,9,12H,5-6,8H2,1-4H3;8-10H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;3-4,6,9-10H,5,7-8H2,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-8,11H,3-4H2,1-2H3;6-7,11H,3-5H2,1-2H3;6-8,10H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine?
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine has a molecular weight of 2217.27 g/mol, XLogP of 26.13, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 160797400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).