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

C175H363F3N34O12S — CID 158228518

IUPAC4-(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
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(NS(C)(=O)=O)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)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C12H20F3NO2.C12H24N2O.C11H22N2O.C10H20N2.2C10H22N2.C10H19NO.C9H20N2O2S.C9H20N2O.2C9H20N2.C8H16N2O.C8H18N2.C7H14N2O.C7H16N2.C7H15NO/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;1-9(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;1-9(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)11-5-7-12(8-6-11)10(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;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;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;2*9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGECCSXQNESQQRZ-UHFFFAOYSA-N
MW3225.12 g/mol
LogP18.06
Rot. Bonds34

About 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

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 (PubChem CID 158228518) has the molecular formula C175H363F3N34O12S and a molecular weight of 3225.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158228518
Molecular FormulaC175H363F3N34O12S
Molecular Weight3225.12 g/mol
Exact Mass3222.85
IUPAC Name4-(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
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(NS(C)(=O)=O)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)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C12H20F3NO2.C12H24N2O.C11H22N2O.C10H20N2.2C10H22N2.C10H19NO.C9H20N2O2S.C9H20N2O.2C9H20N2.C8H16N2O.C8H18N2.C7H14N2O.C7H16N2.C7H15NO/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;1-9(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;1-9(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)11-5-7-12(8-6-11)10(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;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;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;2*9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGECCSXQNESQQRZ-UHFFFAOYSA-N
XLogP18.06
TPSA404.89 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003225.12
LogP ≤ 518.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Related Compounds

CID 158048140
CID 158048140
CID 158147596
CID 158147596
CID 158277408
CID 158277408
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
1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one
CID 159318747
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
CID 161076178
CID 161076178
CID 162012200
CID 162012200

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(NS(C)(=O)=O)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)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.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;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?
The InChIKey is GECCSXQNESQQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C13H26N2O.C12H20F3NO2.C12H24N2O.C11H22N2O.C10H20N2.2C10H22N2.C10H19NO.C9H20N2O2S.C9H20N2O.2C9H20N2.C8H16N2O.C8H18N2.C7H14N2O.C7H16N2.C7H15NO/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;1-9(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;1-9(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)11-5-7-12(8-6-11)10(3)4;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;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;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);9,11H,4-8H2,1-3H3,(H,12,14);9,11H,3-8H2,1-2H3;2*9-10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7,10H2,1-2H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;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?
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 has a molecular weight of 3225.12 g/mol, XLogP of 18.06, 34 rotatable bonds, 11 hydrogen bond donors, and 41 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;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 is sourced from PubChem (CID 158228518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).