4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one

C144H292F3N25O7 — CID 158604675

IUPAC4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESCC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CCN(C)CC2)CC1.CC(C)N1CCC(C)(N2CCOCC2)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(O)(CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(O)(CN)CC1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CC1)COC2.CC(C)N1CCC2(CCCCN2)CC1.CC(C)N1CCC2(CCCCN2C)CC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C13H26N2.C12H20F3NO2.C12H24N2O.C12H24N2.C11H22N2O.C10H20N2.C10H22N2.C10H19NO.C9H20N2O.2C9H20N2/c1-13(2)16-7-5-14(3,6-8-16)17-11-9-15(4)10-12-17;1-12(2)14-6-4-13(3,5-7-14)15-8-10-16-11-9-15;1-12(2)15-10-7-13(8-11-15)6-4-5-9-14(13)3;1-9(2)16-7-5-11(18,6-8-16)4-3-10(17)12(13,14)15;1-5-12(13-11(4)15)6-8-14(9-7-12)10(2)3;1-11(2)14-9-6-12(7-10-14)5-3-4-8-13-12;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-5-3-9(12,7-10)4-6-11;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)11-5-3-9(7-10)4-6-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);11,13H,3-10H2,1-2H3;9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3
InChIKeyHWBJMURUTFYZGE-UHFFFAOYSA-N
MW2543.08 g/mol
LogP18.91
Rot. Bonds26

About 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one

4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one (PubChem CID 158604675) has the molecular formula C144H292F3N25O7 and a molecular weight of 2543.08 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one
PubChem CID158604675
Molecular FormulaC144H292F3N25O7
Molecular Weight2543.08 g/mol
Exact Mass2541.32
IUPAC Name4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESCC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CCN(C)CC2)CC1.CC(C)N1CCC(C)(N2CCOCC2)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(O)(CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(O)(CN)CC1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CC1)COC2.CC(C)N1CCC2(CCCCN2)CC1.CC(C)N1CCC2(CCCCN2C)CC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C13H26N2.C12H20F3NO2.C12H24N2O.C12H24N2.C11H22N2O.C10H20N2.C10H22N2.C10H19NO.C9H20N2O.2C9H20N2/c1-13(2)16-7-5-14(3,6-8-16)17-11-9-15(4)10-12-17;1-12(2)14-6-4-13(3,5-7-14)15-8-10-16-11-9-15;1-12(2)15-10-7-13(8-11-15)6-4-5-9-14(13)3;1-9(2)16-7-5-11(18,6-8-16)4-3-10(17)12(13,14)15;1-5-12(13-11(4)15)6-8-14(9-7-12)10(2)3;1-11(2)14-9-6-12(7-10-14)5-3-4-8-13-12;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-5-3-9(12,7-10)4-6-11;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)11-5-3-9(7-10)4-6-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);11,13H,3-10H2,1-2H3;9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3
InChIKeyHWBJMURUTFYZGE-UHFFFAOYSA-N
XLogP18.91
TPSA280.64 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.08
LogP ≤ 518.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one 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

4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpiperidin-4-yl)methanamine;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one
CID 158228518
4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one
CID 159413258
CID 159481261
CID 159481261
CID 159605619
CID 159605619
N,N-diethyl-2,3-dimethylbutan-2-amine;2,2-diethyl-3-methylbutan-1-ol;2,3-dimethylbutane;1-(2,3-dimethylbutan-2-yl)-3,3-difluoroazetidine;N-(2,3-dimethylbutan-2-yl)-N-methylcyclobutanamine;4-(2,3-dimethylbutan-2-yl)-2-methylmorpholine;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;4-(2,3-dimethylbutan-2-yl)morpholine;3-(2,3-dimethylbutan-2-yl)-6-oxa-3-azabicyclo[3.1.1]heptane;4-(2,3-dimethylbutan-2-yl)piperazin-2-one;2,3-dimethyl-N-propan-2-ylbutan-2-amine;2-ethoxy-2,3-dimethylbutane;N-(2-methoxyethyl)-2,3-dimethylbutan-2-amine;2-methylpropane;3-propan-2-ylpentane-1,5-diol;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylhexane
CID 162157966
1-(azetidin-1-yl)-2-methylpropan-1-one;N-tert-butyl-2-methylpropanamide;N-(cyclobutylmethyl)-2-methylpropanamide;N-cyclobutyl-2-methylpropanamide;N,2-dimethylpropanamide;N-ethyl-2-methylpropanamide;1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;methane;5-methylhexan-3-one;2-methyl-1-(3-methylazetidin-1-yl)propan-1-one;2-methyl-1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;4-methylpentan-2-one;2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,2-trimethylpropanamide
CID 164092567
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 167585094
4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-methyl-4-propan-2-ylpiperazin-2-one;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-(9-propan-2-yl-1,9-diazaspiro[5.5]undecan-1-yl)ethanone;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1-(1-propan-2-ylpiperidin-4-yl)piperazine;N-[1-(1-propan-2-ylpiperidin-4-yl)propyl]acetamide
CID 159115511

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The IUPAC name of 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one (CID 158604675) is 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one is CC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CCN(C)CC2)CC1.CC(C)N1CCC(C)(N2CCOCC2)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(O)(CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(O)(CN)CC1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CC1)COC2.CC(C)N1CCC2(CCCCN2)CC1.CC(C)N1CCC2(CCCCN2C)CC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The InChIKey is HWBJMURUTFYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C13H26N2O.C13H26N2.C12H20F3NO2.C12H24N2O.C12H24N2.C11H22N2O.C10H20N2.C10H22N2.C10H19NO.C9H20N2O.2C9H20N2/c1-13(2)16-7-5-14(3,6-8-16)17-11-9-15(4)10-12-17;1-12(2)14-6-4-13(3,5-7-14)15-8-10-16-11-9-15;1-12(2)15-10-7-13(8-11-15)6-4-5-9-14(13)3;1-9(2)16-7-5-11(18,6-8-16)4-3-10(17)12(13,14)15;1-5-12(13-11(4)15)6-8-14(9-7-12)10(2)3;1-11(2)14-9-6-12(7-10-14)5-3-4-8-13-12;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-5-3-9(12,7-10)4-6-11;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)11-5-3-9(7-10)4-6-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);11,13H,3-10H2,1-2H3;9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one?
4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one has a molecular weight of 2543.08 g/mol, XLogP of 18.91, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-propan-2-yl-1,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 158604675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).