3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline

C203H244Cl4F10N14O7S2 — CID 162146622

IUPAC3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline
SMILESCC(C)Oc1ncc(C(C)C)cc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1F.CC(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCCCC2)c(Cl)c1.CC(C)c1cnc(OCC(F)(F)F)c(Cl)c1.CC1=Cc2cc(C(C)C)ccc2C1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C#N.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C13H19ClN2.C13H16.4C12H13N.C12H15N.C12H14.C11H16ClNO.C11H14N2.C11H13NS.2C11H13N.C10H11ClF3NO.C10H10ClF3O.C10H10F4O.C10H14O2S.C10H14O/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16;1-9(2)11-4-5-12-6-10(3)7-13(12)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)11-5-9(3)12(7-13)10(4)6-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-8(11)9(15-4-7)16-5-10(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,3-7H2,1-2H3;4-5,7-9H,6H2,1-3H3;4*3-9H,1-2H3;5-6,8H,1-4H3;3,5-9H,4H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*3-8,12H,1-2H3;3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;4-8H,1-3H3;4-8H,1-3H3
InChIKeyZKQIQAIJCAFRKY-UHFFFAOYSA-N
MW3388.20 g/mol
LogP61.42
Rot. Bonds27

About 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline

3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline (PubChem CID 162146622) has the molecular formula C203H244Cl4F10N14O7S2 and a molecular weight of 3388.20 g/mol. Its IUPAC name is 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline.

Molecular Properties

Compound Name3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline
PubChem CID162146622
Molecular FormulaC203H244Cl4F10N14O7S2
Molecular Weight3388.20 g/mol
Exact Mass3383.72
IUPAC Name3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline
SMILESCC(C)Oc1ncc(C(C)C)cc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1F.CC(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCCCC2)c(Cl)c1.CC(C)c1cnc(OCC(F)(F)F)c(Cl)c1.CC1=Cc2cc(C(C)C)ccc2C1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C#N.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C13H19ClN2.C13H16.4C12H13N.C12H15N.C12H14.C11H16ClNO.C11H14N2.C11H13NS.2C11H13N.C10H11ClF3NO.C10H10ClF3O.C10H10F4O.C10H14O2S.C10H14O/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16;1-9(2)11-4-5-12-6-10(3)7-13(12)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)11-5-9(3)12(7-13)10(4)6-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-8(11)9(15-4-7)16-5-10(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,3-7H2,1-2H3;4-5,7-9H,6H2,1-3H3;4*3-9H,1-2H3;5-6,8H,1-4H3;3,5-9H,4H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*3-8,12H,1-2H3;3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;4-8H,1-3H3;4-8H,1-3H3
InChIKeyZKQIQAIJCAFRKY-UHFFFAOYSA-N
XLogP61.42
TPSA259.84 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003388.20
LogP ≤ 561.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

CID 159780358
CID 159780358
3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 161367202
1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine
CID 159896510
2-chloro-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;methane;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyridin-2-one;1-methylsulfonyl-4-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylphenolate;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidin-2-amine
CID 160215009

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline?
The IUPAC name of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline (CID 162146622) is 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline.
What is the SMILES notation for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline?
The canonical SMILES for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline is CC(C)Oc1ncc(C(C)C)cc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1F.CC(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCCCC2)c(Cl)c1.CC(C)c1cnc(OCC(F)(F)F)c(Cl)c1.CC1=Cc2cc(C(C)C)ccc2C1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(C)c1C#N.Cc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline?
The InChIKey is ZKQIQAIJCAFRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.C13H16.4C12H13N.C12H15N.C12H14.C11H16ClNO.C11H14N2.C11H13NS.2C11H13N.C10H11ClF3NO.C10H10ClF3O.C10H10F4O.C10H14O2S.C10H14O/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16;1-9(2)11-4-5-12-6-10(3)7-13(12)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)11-5-9(3)12(7-13)10(4)6-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-8(11)9(15-4-7)16-5-10(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,3-7H2,1-2H3;4-5,7-9H,6H2,1-3H3;4*3-9H,1-2H3;5-6,8H,1-4H3;3,5-9H,4H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*3-8,12H,1-2H3;3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;4-8H,1-3H3;4-8H,1-3H3.
What are the key properties of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline?
3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline has a molecular weight of 3388.20 g/mol, XLogP of 61.42, 27 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;2-chloro-4-propan-2-yl-1-(trifluoromethoxy)benzene;2,6-dimethyl-4-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-yl-1H-indene;1-methylsulfonyl-4-propan-2-ylbenzene;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline is sourced from PubChem (CID 162146622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).