1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine

C146H219F9N6O8S2 — CID 160582071

IUPAC1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESC.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1cccc(C(C)C)c1
InChIInChI=1S/C17H24F3NO.C17H25F2NO.2C16H25NO.C14H21N.C13H19N.C10H11F3.2C10H14O2S.C10H14.C9H11F.4CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4*1H4
InChIKeyRBXJXAJQJQNJQJ-UHFFFAOYSA-N
MW2421.51 g/mol
LogP40.73
Rot. Bonds32

About 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine

1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 160582071) has the molecular formula C146H219F9N6O8S2 and a molecular weight of 2421.51 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID160582071
Molecular FormulaC146H219F9N6O8S2
Molecular Weight2421.51 g/mol
Exact Mass2419.62
IUPAC Name1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESC.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1cccc(C(C)C)c1
InChIInChI=1S/C17H24F3NO.C17H25F2NO.2C16H25NO.C14H21N.C13H19N.C10H11F3.2C10H14O2S.C10H14.C9H11F.4CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4*1H4
InChIKeyRBXJXAJQJQNJQJ-UHFFFAOYSA-N
XLogP40.73
TPSA124.64 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.51
LogP ≤ 540.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 160582071) is 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is C.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is RBXJXAJQJQNJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO.C17H25F2NO.2C16H25NO.C14H21N.C13H19N.C10H11F3.2C10H14O2S.C10H14.C9H11F.4CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4*1H4.
What are the key properties of 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 2421.51 g/mol, XLogP of 40.73, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 160582071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).