ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol

C260H501F3N14O32 — CID 161426016

IUPACethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCC(=O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)C1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CCOC(=O)N1CCC(C(C)C)CC1.COC(=O)N1CCC(C(C)C)CC1.COC(C)C(=O)N1CCC(C(C)C)CC1.COCC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H23NO2.C12H23NO.2C11H21NO2.2C11H21NO.C10H19NO2.3C10H19NO.C10H20O.C9H15F3O.2C9H17NO.5C9H18O.2C8H15NO.2C8H16O.C8H14O.2C8H16O.2C7H14O/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)10-4-6-12(7-5-10)11(13)8-14-3;1-4-14-11(13)12-7-5-10(6-8-12)9(2)3;2*1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)9-4-6-10(3,11)7-5-9;1-6(2)7-3-4-8(13,5-7)9(10,11)12;1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)9-4-5-10(6-9)8(3)11;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)8-4-5-9(3,10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;2*9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;3*8,10H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,13H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;2*8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3
InChIKeyVXJFSJQKIHOKEC-UHFFFAOYSA-N
MW4392.93 g/mol
LogP57.05
Rot. Bonds34

About ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol

ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 161426016) has the molecular formula C260H501F3N14O32 and a molecular weight of 4392.93 g/mol. Its IUPAC name is ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nameethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID161426016
Molecular FormulaC260H501F3N14O32
Molecular Weight4392.93 g/mol
Exact Mass4389.80
IUPAC Nameethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCC(=O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)C1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CCOC(=O)N1CCC(C(C)C)CC1.COC(=O)N1CCC(C(C)C)CC1.COC(C)C(=O)N1CCC(C(C)C)CC1.COCC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H23NO2.C12H23NO.2C11H21NO2.2C11H21NO.C10H19NO2.3C10H19NO.C10H20O.C9H15F3O.2C9H17NO.5C9H18O.2C8H15NO.2C8H16O.C8H14O.2C8H16O.2C7H14O/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)10-4-6-12(7-5-10)11(13)8-14-3;1-4-14-11(13)12-7-5-10(6-8-12)9(2)3;2*1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)9-4-6-10(3,11)7-5-9;1-6(2)7-3-4-8(13,5-7)9(10,11)12;1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)9-4-5-10(6-9)8(3)11;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)8-4-5-9(3,10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;2*9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;3*8,10H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,13H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;2*8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3
InChIKeyVXJFSJQKIHOKEC-UHFFFAOYSA-N
XLogP57.05
TPSA513.32 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004392.93
LogP ≤ 557.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
CID 162276361
ethane;N-hexan-3-yl-3-methoxyoxan-4-amine;1-[1-methyl-3-(trifluoromethyl)-5,7,8,9-tetrahydro-2H-pyrido[3,2-c]azepin-6-yl]ethanone;propane
CID 143046600
[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58784550
2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylpropane;1-ethyl-N-propan-2-ylcyclopropan-1-amine;2-methylbutane;tetrakis(1-methyl-1-propan-2-ylcyclobutane);2-methyl-N-propan-2-ylcyclopentan-1-amine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylcyclobutan-1-ol;N-propan-2-ylcyclopentanamine;(3R)-N-propan-2-yloxolan-3-amine;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2,2,3-trimethylbutane
CID 157164324
2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone
CID 65082207
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 107406143
1-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-2-methoxyethanone
CID 155998358
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane
CID 165108316
[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[5-nitro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 10414086
2-[(1S,3R)-3-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-one
CID 142827000
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol (CID 161426016) is ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol is CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCC(C)(C(C)C)CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C1(C)CCOCC1.CC(C)C1(C)CCOCC1.CC(C)C1CC(=O)N(C)C1.CC(C)C1CCC(=O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)C1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CCOC(=O)N1CCC(C(C)C)CC1.COC(=O)N1CCC(C(C)C)CC1.COC(C)C(=O)N1CCC(C(C)C)CC1.COCC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is VXJFSJQKIHOKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C12H23NO.2C11H21NO2.2C11H21NO.C10H19NO2.3C10H19NO.C10H20O.C9H15F3O.2C9H17NO.5C9H18O.2C8H15NO.2C8H16O.C8H14O.2C8H16O.2C7H14O/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)10-4-6-12(7-5-10)11(13)8-14-3;1-4-14-11(13)12-7-5-10(6-8-12)9(2)3;2*1-9(2)11(4)5-7-12(8-6-11)10(3)13;1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)9-4-6-10(3,11)7-5-9;1-6(2)7-3-4-8(13,5-7)9(10,11)12;1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)9-4-5-10(6-9)8(3)11;2*1-8(2)9(3)4-6-10-7-5-9;1-7(2)8-4-5-9(3,10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-6(2)7-4-8(10)9(3)5-7;1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;2*9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;3*8,10H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,13H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;2*8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol?
ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 4392.93 g/mol, XLogP of 57.05, 34 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-propan-2-ylpiperidine-1-carboxylate;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-methoxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-3-propan-2-ylcyclopentan-1-ol;bis(4-methyl-4-propan-2-yloxane);methyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-propan-2-ylpiperidin-2-one;bis(1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone);2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;1-(3-propan-2-ylazetidin-1-yl)ethanone;4-propan-2-ylcyclohexan-1-ol;3-propan-2-ylcyclopentan-1-ol;3-propan-2-ylcyclopentan-1-one;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(2-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpyrrolidin-1-yl)ethanone;3-propan-2-yl-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 161426016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).