1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)

C216H350F6N20O7S — CID 165085092

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)
SMILESC=C(C)N1CCCCC1C(C)C.C=C(N1CCCC(C(C)C)C1)C(C)(C)C.C=C(N1CCCC1)N1CCCC(C(C)C)C1.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCCCN1C(=O)C(C)(C)C.CC(C)C1CCCCN1C(=O)N1CCCC1.CC(C)C1CCN(C(=O)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CCc1ccc(C(C)C)c(C)n1.Cc1c[nH]c(C)c1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1C
InChIInChI=1S/C14H26N2.C14H27N.2C13H24N2O.C13H19NO.2C13H25NO.C12H13NS.C11H18N2O.C11H21N.C11H17N.2C10H11F3.3C10H15N.C10H14.C9H15NO.C9H15N/c1-12(2)14-7-6-10-16(11-14)13(3)15-8-4-5-9-15;1-11(2)13-8-7-9-15(10-13)12(3)14(4,5)6;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-7-3-4-10-15(12)13(16)14-8-5-6-9-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-6-8-14(9-7-11)12(15)13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)13(3,4)5;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-9(2)11-7-5-6-8-12(11)10(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;2*1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)9-7(3)5-10-8(9)4/h12,14H,3-11H2,1-2H3;11,13H,3,7-10H2,1-2,4-6H3;2*11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*10-11H,6-9H2,1-5H3;3-9H,1-2H3;7H,6H2,1-5H3;9,11H,3,5-8H2,1-2,4H3;6-8H,5H2,1-4H3;2*3-7H,1-2H3;3*5-7H,1-4H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-6,10H,1-4H3
InChIKeyVTQUVAQULLAQSE-UHFFFAOYSA-N
MW3485.36 g/mol
LogP56.44
Rot. Bonds28

About 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)

1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) (PubChem CID 165085092) has the molecular formula C216H350F6N20O7S and a molecular weight of 3485.36 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene).

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)
PubChem CID165085092
Molecular FormulaC216H350F6N20O7S
Molecular Weight3485.36 g/mol
Exact Mass3482.73
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)
SMILESC=C(C)N1CCCCC1C(C)C.C=C(N1CCCC(C(C)C)C1)C(C)(C)C.C=C(N1CCCC1)N1CCCC(C(C)C)C1.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCCCN1C(=O)C(C)(C)C.CC(C)C1CCCCN1C(=O)N1CCCC1.CC(C)C1CCN(C(=O)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CCc1ccc(C(C)C)c(C)n1.Cc1c[nH]c(C)c1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1C
InChIInChI=1S/C14H26N2.C14H27N.2C13H24N2O.C13H19NO.2C13H25NO.C12H13NS.C11H18N2O.C11H21N.C11H17N.2C10H11F3.3C10H15N.C10H14.C9H15NO.C9H15N/c1-12(2)14-7-6-10-16(11-14)13(3)15-8-4-5-9-15;1-11(2)13-8-7-9-15(10-13)12(3)14(4,5)6;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-7-3-4-10-15(12)13(16)14-8-5-6-9-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-6-8-14(9-7-11)12(15)13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)13(3,4)5;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-9(2)11-7-5-6-8-12(11)10(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;2*1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)9-7(3)5-10-8(9)4/h12,14H,3-11H2,1-2H3;11,13H,3,7-10H2,1-2,4-6H3;2*11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*10-11H,6-9H2,1-5H3;3-9H,1-2H3;7H,6H2,1-5H3;9,11H,3,5-8H2,1-2,4H3;6-8H,5H2,1-4H3;2*3-7H,1-2H3;3*5-7H,1-4H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-6,10H,1-4H3
InChIKeyVTQUVAQULLAQSE-UHFFFAOYSA-N
XLogP56.44
TPSA248.59 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003485.36
LogP ≤ 556.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) (CID 165085092) is 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene).
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) is C=C(C)N1CCCCC1C(C)C.C=C(N1CCCC(C(C)C)C1)C(C)(C)C.C=C(N1CCCC1)N1CCCC(C(C)C)C1.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCCCN1C(=O)C(C)(C)C.CC(C)C1CCCCN1C(=O)N1CCCC1.CC(C)C1CCN(C(=O)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CCc1ccc(C(C)C)c(C)n1.Cc1c[nH]c(C)c1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)?
The InChIKey is VTQUVAQULLAQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C14H27N.2C13H24N2O.C13H19NO.2C13H25NO.C12H13NS.C11H18N2O.C11H21N.C11H17N.2C10H11F3.3C10H15N.C10H14.C9H15NO.C9H15N/c1-12(2)14-7-6-10-16(11-14)13(3)15-8-4-5-9-15;1-11(2)13-8-7-9-15(10-13)12(3)14(4,5)6;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-7-3-4-10-15(12)13(16)14-8-5-6-9-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-6-8-14(9-7-11)12(15)13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)13(3,4)5;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-9(2)11-7-5-6-8-12(11)10(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;2*1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)9-7(3)5-10-8(9)4/h12,14H,3-11H2,1-2H3;11,13H,3,7-10H2,1-2,4-6H3;2*11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*10-11H,6-9H2,1-5H3;3-9H,1-2H3;7H,6H2,1-5H3;9,11H,3,5-8H2,1-2,4H3;6-8H,5H2,1-4H3;2*3-7H,1-2H3;3*5-7H,1-4H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-6,10H,1-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)?
1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) has a molecular weight of 3485.36 g/mol, XLogP of 56.44, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene) is sourced from PubChem (CID 165085092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).