1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene

C187H281F9N18O6 — CID 158304555

IUPAC1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene
SMILESC=C(C1CC1)N1CCC(C)CC1.CC(=O)c1ccc(CN2CCC3(CC2)CC(C)C3)cc1.CC1CC2(CCCCC2)C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CCC1CCC(N)CC1.CNC1CCC(C)CC1.COc1ccc(C)cn1.C[C@@H]1CCN(C)C(=O)C1.C[C@H]1CCCC(N)C1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cn[nH]c1.Cc1cncnc1
InChIInChI=1S/C18H25NO.C11H19N.C10H18.C9H15F2NO.2C9H9N.C9H18.C8H7F3.C8H15F.2C8H17N.C8H8O2.C8H16.C8H10.C7H6F3N.C7H13NO.C7H9NO.C7H9N.C7H15N.2C6H7N.C5H6N2.C4H6N2/c1-14-11-18(12-14)7-9-19(10-8-18)13-16-3-5-17(6-4-16)15(2)20;1-9-5-7-12(8-6-9)10(2)11-3-4-11;1-9-7-10(8-9)5-3-2-4-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-8-4-6-9(2,3)7-5-8;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-7-3-5-8(9-2)6-4-7;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)10-6-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;1-6-3-4-7(9-2)8-5-6;1-6-3-4-8-7(2)5-6;1-6-3-2-4-7(8)5-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h3-6,14H,7-13H2,1-2H3;9,11H,2-8H2,1H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;8H,4-7H2,1-3H3;2-5H,1H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3;6-7H,2-5,8H2,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;6-;;;6-,7?;;;;/m...............1..0..../s1
InChIKeyGMXNIZSUNKGDOW-SEBJNMNASA-N
MW3048.41 g/mol
LogP48.25
Rot. Bonds11

About 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene

1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene (PubChem CID 158304555) has the molecular formula C187H281F9N18O6 and a molecular weight of 3048.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene.

Molecular Properties

Compound Name1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene
PubChem CID158304555
Molecular FormulaC187H281F9N18O6
Molecular Weight3048.41 g/mol
Exact Mass3046.21
IUPAC Name1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene
SMILESC=C(C1CC1)N1CCC(C)CC1.CC(=O)c1ccc(CN2CCC3(CC2)CC(C)C3)cc1.CC1CC2(CCCCC2)C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CCC1CCC(N)CC1.CNC1CCC(C)CC1.COc1ccc(C)cn1.C[C@@H]1CCN(C)C(=O)C1.C[C@H]1CCCC(N)C1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cn[nH]c1.Cc1cncnc1
InChIInChI=1S/C18H25NO.C11H19N.C10H18.C9H15F2NO.2C9H9N.C9H18.C8H7F3.C8H15F.2C8H17N.C8H8O2.C8H16.C8H10.C7H6F3N.C7H13NO.C7H9NO.C7H9N.C7H15N.2C6H7N.C5H6N2.C4H6N2/c1-14-11-18(12-14)7-9-19(10-8-18)13-16-3-5-17(6-4-16)15(2)20;1-9-5-7-12(8-6-9)10(2)11-3-4-11;1-9-7-10(8-9)5-3-2-4-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-8-4-6-9(2,3)7-5-8;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-7-3-5-8(9-2)6-4-7;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)10-6-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;1-6-3-4-7(9-2)8-5-6;1-6-3-4-8-7(2)5-6;1-6-3-2-4-7(8)5-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h3-6,14H,7-13H2,1-2H3;9,11H,2-8H2,1H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;8H,4-7H2,1-3H3;2-5H,1H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3;6-7H,2-5,8H2,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;6-;;;6-,7?;;;;/m...............1..0..../s1
InChIKeyGMXNIZSUNKGDOW-SEBJNMNASA-N
XLogP48.25
TPSA310.83 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003048.41
LogP ≤ 548.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene with MolForge

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Related Compounds

N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;methyl (2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]piperidine-2-carboxylate
CID 157900166
1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene
CID 158139900
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
CID 164986520
1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene
CID 167570373
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-methyl-3-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide
CID 157954993
1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 159570655
2,4-dimethyl-3-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyrimidine;4,6-dimethyl-5-propan-2-yl-1H-pyrimidin-2-one;2-ethoxy-4-methyl-3-propan-2-ylpyridine;5-(4-fluorophenyl)-4-propan-2-yl-1H-pyrazole;2-methoxy-4-methyl-3-propan-2-ylpyridine;5-methyl-3-phenyl-4-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-one;1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one;6-methyl-5-propan-2-ylquinoline;2-phenyl-3-propan-2-ylpyridine;1-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 160263816

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene?
The IUPAC name of 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene (CID 158304555) is 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene.
What is the SMILES notation for 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene?
The canonical SMILES for 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene is C=C(C1CC1)N1CCC(C)CC1.CC(=O)c1ccc(CN2CCC3(CC2)CC(C)C3)cc1.CC1CC2(CCCCC2)C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CCC1CCC(N)CC1.CNC1CCC(C)CC1.COc1ccc(C)cn1.C[C@@H]1CCN(C)C(=O)C1.C[C@H]1CCCC(N)C1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cn[nH]c1.Cc1cncnc1.
What is the InChIKey of 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene?
The InChIKey is GMXNIZSUNKGDOW-SEBJNMNASA-N. The full InChI is InChI=1S/C18H25NO.C11H19N.C10H18.C9H15F2NO.2C9H9N.C9H18.C8H7F3.C8H15F.2C8H17N.C8H8O2.C8H16.C8H10.C7H6F3N.C7H13NO.C7H9NO.C7H9N.C7H15N.2C6H7N.C5H6N2.C4H6N2/c1-14-11-18(12-14)7-9-19(10-8-18)13-16-3-5-17(6-4-16)15(2)20;1-9-5-7-12(8-6-9)10(2)11-3-4-11;1-9-7-10(8-9)5-3-2-4-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-8-4-6-9(2,3)7-5-8;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-7-3-5-8(9-2)6-4-7;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)10-6-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;1-6-3-4-7(9-2)8-5-6;1-6-3-4-8-7(2)5-6;1-6-3-2-4-7(8)5-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h3-6,14H,7-13H2,1-2H3;9,11H,2-8H2,1H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;8H,4-7H2,1-3H3;2-5H,1H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3;6-7H,2-5,8H2,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;6-;;;6-,7?;;;;/m...............1..0..../s1.
What are the key properties of 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene?
1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene has a molecular weight of 3048.41 g/mol, XLogP of 48.25, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethenyl)-4-methylpiperidine;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;N,4-dimethylcyclohexan-1-amine;1,4-dimethylcyclohexane;(4R)-1,4-dimethylpiperidin-2-one;2,4-dimethylpyridine;4-ethylcyclohexan-1-amine;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;1-[4-[(2-methyl-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]ethanone;(3S)-3-methylcyclohexan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methylspiro[3.5]nonane;1-methyl-4-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,3-xylene is sourced from PubChem (CID 158304555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).