tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol

C144H141Cl4F21N13O19PS — CID 167667224

IUPACtert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)OCC.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.FC(F)(F)c1ccc(Oc2cccc(CCl)c2)nc1.O=C(NC1CC1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1CC1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C28H26F3N3O2.C23H25F3N2O3.C18H17F3N2O.C17H19F3NO4P.C16H15NO2.C13H9ClF3NO.C13H10F3NO2.C10H17NO3.C6H3ClF3N.Cl2OS/c29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-22(2,3)31-21(29)28-11-9-16(10-12-28)13-17-5-4-6-19(14-17)30-20-8-7-18(15-27-20)23(24,25)26;19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13;1-3-23-26(22,24-4-2)12-13-6-5-7-15(10-13)25-16-9-8-14(11-21-16)17(18,19)20;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;14-7-9-2-1-3-11(6-9)19-12-5-4-10(8-18-12)13(15,16)17;14-13(15,16)10-4-5-12(17-7-10)19-11-3-1-2-9(6-11)8-18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-2-1-4(3-11-5)6(8,9)10;1-4(2)3/h1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);4-8,13-15H,9-12H2,1-3H3;1-5,10-12,22H,6-9H2;5-11H,3-4,12H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-6,8H,7H2;1-7,18H,8H2;4-7H2,1-3H3;1-3H;
InChIKeySUTPISVMOXLZAH-UHFFFAOYSA-N
MW2961.59 g/mol
LogP39.99
Rot. Bonds28

About tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol

tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol (PubChem CID 167667224) has the molecular formula C144H141Cl4F21N13O19PS and a molecular weight of 2961.59 g/mol. Its IUPAC name is tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol.

Molecular Properties

Compound Nametert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
PubChem CID167667224
Molecular FormulaC144H141Cl4F21N13O19PS
Molecular Weight2961.59 g/mol
Exact Mass2957.83
IUPAC Nametert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)OCC.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.FC(F)(F)c1ccc(Oc2cccc(CCl)c2)nc1.O=C(NC1CC1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1CC1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C28H26F3N3O2.C23H25F3N2O3.C18H17F3N2O.C17H19F3NO4P.C16H15NO2.C13H9ClF3NO.C13H10F3NO2.C10H17NO3.C6H3ClF3N.Cl2OS/c29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-22(2,3)31-21(29)28-11-9-16(10-12-28)13-17-5-4-6-19(14-17)30-20-8-7-18(15-27-20)23(24,25)26;19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13;1-3-23-26(22,24-4-2)12-13-6-5-7-15(10-13)25-16-9-8-14(11-21-16)17(18,19)20;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;14-7-9-2-1-3-11(6-9)19-12-5-4-10(8-18-12)13(15,16)17;14-13(15,16)10-4-5-12(17-7-10)19-11-3-1-2-9(6-11)8-18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-2-1-4(3-11-5)6(8,9)10;1-4(2)3/h1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);4-8,13-15H,9-12H2,1-3H3;1-5,10-12,22H,6-9H2;5-11H,3-4,12H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-6,8H,7H2;1-7,18H,8H2;4-7H2,1-3H3;1-3H;
InChIKeySUTPISVMOXLZAH-UHFFFAOYSA-N
XLogP39.99
TPSA377.29 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002961.59
LogP ≤ 539.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol with MolForge

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Related Compounds

tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride
CID 167607750
tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride
CID 167562423
6-[3-[[1-[[(2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylic acid
CID 166076341
5-bromo-2-[3-(diethoxyphosphorylmethyl)phenoxy]pyrimidine;tert-butyl 4-[[3-(5-bromopyrimidin-2-yl)oxyphenyl]methylidene]piperidine-1-carboxylate
CID 157358123
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
tert-butyl 4-[[3-ethoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;hydrochloride
CID 140530678
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 166025737
N-[(1S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076245
N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076330
carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167616777

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The IUPAC name of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol (CID 167667224) is tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol.
What is the SMILES notation for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The canonical SMILES for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol is CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)OCC.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.FC(F)(F)c1ccc(Oc2cccc(CCl)c2)nc1.O=C(NC1CC1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1CC1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The InChIKey is SUTPISVMOXLZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2.C23H25F3N2O3.C18H17F3N2O.C17H19F3NO4P.C16H15NO2.C13H9ClF3NO.C13H10F3NO2.C10H17NO3.C6H3ClF3N.Cl2OS/c29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-22(2,3)31-21(29)28-11-9-16(10-12-28)13-17-5-4-6-19(14-17)30-20-8-7-18(15-27-20)23(24,25)26;19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13;1-3-23-26(22,24-4-2)12-13-6-5-7-15(10-13)25-16-9-8-14(11-21-16)17(18,19)20;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;14-7-9-2-1-3-11(6-9)19-12-5-4-10(8-18-12)13(15,16)17;14-13(15,16)10-4-5-12(17-7-10)19-11-3-1-2-9(6-11)8-18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-2-1-4(3-11-5)6(8,9)10;1-4(2)3/h1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);4-8,13-15H,9-12H2,1-3H3;1-5,10-12,22H,6-9H2;5-11H,3-4,12H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-6,8H,7H2;1-7,18H,8H2;4-7H2,1-3H3;1-3H;.
What are the key properties of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol has a molecular weight of 2961.59 g/mol, XLogP of 39.99, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-chloro-5-(trifluoromethyl)pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;N-(2-phenylcyclopropyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;thionyl dichloride;[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol is sourced from PubChem (CID 167667224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).