tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol

C201H421F5N34O19S — CID 157098889

IUPACtert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)C1.CC(C)C1CN(C(C)C)CCN1.CC(C)N1CC(O)C(O)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)N1CCC(O)C(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(CC(=O)OC(C)(C)C)C1.CC(C)N1CCCC(N)C1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCN1CCN(C(C)C)CC1.CCOC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C14H27NO2.C13H26N2O2.C11H21NO2.2C10H22N2.C9H16F3NO.3C9H20N2.C9H17NO2.3C8H18N2.C8H17NO2.2C8H17NO.C8H17N.C7H13F2N.C7H14N2O.C7H16N2.C7H15NO2S.C7H15NO2.C7H15NO/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5;1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-4-14-11(13)10-5-7-12(8-6-10)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;1-6(2)9-4-3-7(10)8(11)5-9;1-8(2,3)9-5-4-7(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-3-6(9)7(10)4-8;1-7(2)8-3-5-9-6-4-8/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;7,14H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12);7-9H,4-6H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;7,10H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAFNLKFGUVQDNMO-UHFFFAOYSA-N
MW3745.85 g/mol
LogP23.68
Rot. Bonds31

About tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol

tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 157098889) has the molecular formula C201H421F5N34O19S and a molecular weight of 3745.85 g/mol. Its IUPAC name is tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Nametert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
PubChem CID157098889
Molecular FormulaC201H421F5N34O19S
Molecular Weight3745.85 g/mol
Exact Mass3743.27
IUPAC Nametert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)C1.CC(C)C1CN(C(C)C)CCN1.CC(C)N1CC(O)C(O)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)N1CCC(O)C(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(CC(=O)OC(C)(C)C)C1.CC(C)N1CCCC(N)C1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCN1CCN(C(C)C)CC1.CCOC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C14H27NO2.C13H26N2O2.C11H21NO2.2C10H22N2.C9H16F3NO.3C9H20N2.C9H17NO2.3C8H18N2.C8H17NO2.2C8H17NO.C8H17N.C7H13F2N.C7H14N2O.C7H16N2.C7H15NO2S.C7H15NO2.C7H15NO/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5;1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-4-14-11(13)10-5-7-12(8-6-10)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;1-6(2)9-4-3-7(10)8(11)5-9;1-8(2,3)9-5-4-7(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-3-6(9)7(10)4-8;1-7(2)8-3-5-9-6-4-8/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;7,14H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12);7-9H,4-6H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;7,10H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAFNLKFGUVQDNMO-UHFFFAOYSA-N
XLogP23.68
TPSA535.50 Ų
H-Bond Donors17
H-Bond Acceptors50
Rotatable Bonds31
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003745.85
LogP ≤ 523.68
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(1-tert-butylpiperidin-3-yl)acetate;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpyrrolidine-3,4-diol
CID 158055497
(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol
CID 159184738
(4-amino-1-propan-2-ylpyrrolidin-3-yl)-(azetidin-1-yl)methanone;4-azido-1-propan-2-ylpyrrolidin-3-ol;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;cumene;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;3-(fluoromethyl)-1-propan-2-ylpiperidine;N-methylpropan-2-amine;2-methylpropane;2-methylpropanenitrile;3-methyl-1-propan-2-ylazetidin-3-ol;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);propane;propan-2-ol;N-propan-2-ylacetamide;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclopropanamine;propan-2-ylcyclopropane;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;3-propan-2-yl-1,3-oxazolidine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrazolidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-1,3-thiazolidine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)piperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 159218219
(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylsulfonylpiperazine;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-amine;bis(1-tert-butyl-4-propan-2-ylpiperazine);(3R)-1-tert-butylpyrrolidin-3-amine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;3-methoxy-1-propan-2-ylazetidine;1-propan-2-ylazetidin-3-amine;4-propan-2-yl-1,4-oxazepane
CID 158453204
3,5-dimethyl-1-propan-2-ylpiperazine;bis(2,2-dimethyl-1-propan-2-ylpiperidine);2,6-dimethyl-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;tris(1,4-di(propan-2-yl)piperazine);bis(2-methylidene-1-propan-2-ylpiperidine);bis(1-methyl-4-propan-2-ylpiperazine);2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;tris(3-methyl-1-propan-2-ylpiperidine);4-propan-2-ylpiperazin-2-one;bis(1-(4-propan-2-ylpiperazin-1-yl)ethanone);1-propan-2-ylpiperidine-4-carboxylic acid;bis(4-propan-2-yl-1,4-thiazinane 1-oxide)
CID 161228961
1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
CID 160737708
(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;morpholin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 165073464
2,8-dimethylnonan-4-one;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;ethane;2-methylheptan-4-one;4-(5-methylhex-1-en-2-yl)morpholine;1-(5-methylhex-1-en-2-yl)piperazine;1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone;1-(5-methylhex-1-en-2-yl)piperidine;1-(5-methylhex-1-en-2-yl)-4-propan-2-ylpiperazine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;4-(5-methylhex-1-en-2-yl)thiomorpholine;4-methyl-1-(5-methylhex-1-en-2-yl)piperidine;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;propan-2-yl 3-methylbutanoate
CID 160644091
1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3,3-dimethylpiperidine;1-ethyl-4-fluoropiperidine;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;4-fluoro-1-(2-methoxyethyl)-4-methylpiperidine;4-(2-methoxyethyl)morpholine;methoxymethylcyclohexane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methylpiperazine;bis(1-methylpiperidine);1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propylpiperazine;4-propylmorpholine;1,3,5-trimethylpiperazine
CID 159246326
4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane
CID 159805955
ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate
CID 177255273
2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
CID 165061734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol (CID 157098889) is tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol is CC(C)(C)N1CCC(O)C1.CC(C)C1CN(C(C)C)CCN1.CC(C)N1CC(O)C(O)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)N1CCC(O)C(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(CC(=O)OC(C)(C)C)C1.CC(C)N1CCCC(N)C1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCN1CCN(C(C)C)CC1.CCOC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is AFNLKFGUVQDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C13H26N2O2.C11H21NO2.2C10H22N2.C9H16F3NO.3C9H20N2.C9H17NO2.3C8H18N2.C8H17NO2.2C8H17NO.C8H17N.C7H13F2N.C7H14N2O.C7H16N2.C7H15NO2S.C7H15NO2.C7H15NO/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5;1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-4-14-11(13)10-5-7-12(8-6-10)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)13-5-3-8(14,4-6-13)9(10,11)12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;1-6(2)9-4-3-7(10)8(11)5-9;1-8(2,3)9-5-4-7(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-3-6(9)7(10)4-8;1-7(2)8-3-5-9-6-4-8/h11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;7,14H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12);7-9H,4-6H2,1-3H3;2*7-8H,3-6,9H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;7,10H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol?
tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 3745.85 g/mol, XLogP of 23.68, 31 rotatable bonds, 17 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 157098889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).