1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine

C191H348FN21O17S — CID 159589702

IUPAC1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine
SMILESCC(C)C.CC(C)CC(=O)C12CCC(CC1)CC2.CC(C)CC(=O)C1CCCCC1.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCC2)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCCCC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccccn1.CC(C)N(C)C.CC(C)N1CCCCC1.CC(C)O.CC(C)OCCN1CCCCC1.CC(C)Sc1nncn1C
InChIInChI=1S/C15H27NO2.C14H25NO.C13H25NO.C13H22O.C12H22FNO.C11H21NO2.2C11H21NO.C11H20O.C11H14O.C10H21NO.C9H14N2O.C9H13N.C8H12N2O.C8H17N.C7H11N3O.C6H11N3S.C5H13N.C4H10.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-11(2)10-14(16)12-6-8-15(9-7-12)13-4-3-5-13;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-10(2)9-12(14)13-6-3-11(4-7-13)5-8-13;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12;2*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)4-9(12)8-5-11(3)6-10-8;1-8(2)7-9-5-3-4-6-10-9;1-6(2)5-7(11)8-9-3-4-10-8;1-8(2)9-6-4-3-5-7-9;1-5(2)3-6(11)7-8-4-9-10-7;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;1-4(2)3;1-3(2)4/h12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;12H,3-11H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;10H,3-9H2,1-2H3;5-7H,4H2,1-3H3;3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10);8H,3-7H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);4-5H,1-3H3;5H,1-4H3;4H,1-3H3;3-4H,1-2H3
InChIKeyMKBSLYOCMGSPNY-UHFFFAOYSA-N
MW3262.08 g/mol
LogP40.23
Rot. Bonds59

About 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine

1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine (PubChem CID 159589702) has the molecular formula C191H348FN21O17S and a molecular weight of 3262.08 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine
PubChem CID159589702
Molecular FormulaC191H348FN21O17S
Molecular Weight3262.08 g/mol
Exact Mass3259.67
IUPAC Name1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine
SMILESCC(C)C.CC(C)CC(=O)C12CCC(CC1)CC2.CC(C)CC(=O)C1CCCCC1.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCC2)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCCCC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccccn1.CC(C)N(C)C.CC(C)N1CCCCC1.CC(C)O.CC(C)OCCN1CCCCC1.CC(C)Sc1nncn1C
InChIInChI=1S/C15H27NO2.C14H25NO.C13H25NO.C13H22O.C12H22FNO.C11H21NO2.2C11H21NO.C11H20O.C11H14O.C10H21NO.C9H14N2O.C9H13N.C8H12N2O.C8H17N.C7H11N3O.C6H11N3S.C5H13N.C4H10.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-11(2)10-14(16)12-6-8-15(9-7-12)13-4-3-5-13;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-10(2)9-12(14)13-6-3-11(4-7-13)5-8-13;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12;2*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)4-9(12)8-5-11(3)6-10-8;1-8(2)7-9-5-3-4-6-10-9;1-6(2)5-7(11)8-9-3-4-10-8;1-8(2)9-6-4-3-5-7-9;1-5(2)3-6(11)7-8-4-9-10-7;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;1-4(2)3;1-3(2)4/h12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;12H,3-11H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;10H,3-9H2,1-2H3;5-7H,4H2,1-3H3;3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10);8H,3-7H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);4-5H,1-3H3;5H,1-4H3;4H,1-3H3;3-4H,1-2H3
InChIKeyMKBSLYOCMGSPNY-UHFFFAOYSA-N
XLogP40.23
TPSA433.90 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds59
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003262.08
LogP ≤ 540.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine
CID 159031254

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine?
The IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine (CID 159589702) is 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine.
What is the SMILES notation for 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine?
The canonical SMILES for 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine is CC(C)C.CC(C)CC(=O)C12CCC(CC1)CC2.CC(C)CC(=O)C1CCCCC1.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCC2)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCCCC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccccn1.CC(C)N(C)C.CC(C)N1CCCCC1.CC(C)O.CC(C)OCCN1CCCCC1.CC(C)Sc1nncn1C.
What is the InChIKey of 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine?
The InChIKey is MKBSLYOCMGSPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C14H25NO.C13H25NO.C13H22O.C12H22FNO.C11H21NO2.2C11H21NO.C11H20O.C11H14O.C10H21NO.C9H14N2O.C9H13N.C8H12N2O.C8H17N.C7H11N3O.C6H11N3S.C5H13N.C4H10.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-11(2)10-14(16)12-6-8-15(9-7-12)13-4-3-5-13;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-10(2)9-12(14)13-6-3-11(4-7-13)5-8-13;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12;2*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)4-9(12)8-5-11(3)6-10-8;1-8(2)7-9-5-3-4-6-10-9;1-6(2)5-7(11)8-9-3-4-10-8;1-8(2)9-6-4-3-5-7-9;1-5(2)3-6(11)7-8-4-9-10-7;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;1-4(2)3;1-3(2)4/h12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;12H,3-11H2,1-2H3;10-11H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;10H,3-9H2,1-2H3;5-7H,4H2,1-3H3;3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10);8H,3-7H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);4-5H,1-3H3;5H,1-4H3;4H,1-3H3;3-4H,1-2H3.
What are the key properties of 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine?
1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine has a molecular weight of 3262.08 g/mol, XLogP of 40.23, 59 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine is sourced from PubChem (CID 159589702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).