4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene

C216H318F5N15O12 — CID 158595600

IUPAC4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene
SMILESC=CC(=O)Nc1cccc(C(C)C)c1.C=CC(=O)Nc1ccccc1C(C)C.CC(C)C1=CCN(C(=O)N(C)C)CC1.CC(C)C1=CCN(C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)C1CCNC(=O)C1.CC(C)[C@@H]1C[C@H]1c1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2=CCNCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1cccc(OC(F)(F)F)c1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2.C15H23NO.C15H21N.C14H19F2N.C14H19NO2.C14H19N.2C12H15NO.C12H16.C11H20N2O.C11H17N.C10H11F3O.C10H12O2.2C10H14O.C9H17N.C8H15NO.C8H15N.C6H12/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-4-12(14)13-11-7-5-6-10(8-11)9(2)3;1-4-12(14)13-11-8-6-5-7-10(11)9(2)3;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6/h4-7,13H,8-12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;4-8,12H,9-11H2,1-3H3;2*3-6,11H,7-10H2,1-2H3;3-7,11,15H,8-10H2,1-2H3;2*4-9H,1H2,2-3H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;5,9H,6-8H2,1-4H3;5-9H,1-4H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-3H3;4,8H,5-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);3,7,9H,4-6H2,1-2H3;5-6H,3-4H2,1-2H3/t;12-,13+;;;;;;;11-,12-;;;;;;;;;;/m........0........../s1
InChIKeyHUZJWANMJMLXCT-QSCFCIOTSA-N
MW3412.00 g/mol
LogP51.71
Rot. Bonds36

About 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene

4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene (PubChem CID 158595600) has the molecular formula C216H318F5N15O12 and a molecular weight of 3412.00 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene
PubChem CID158595600
Molecular FormulaC216H318F5N15O12
Molecular Weight3412.00 g/mol
Exact Mass3409.47
IUPAC Name4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene
SMILESC=CC(=O)Nc1cccc(C(C)C)c1.C=CC(=O)Nc1ccccc1C(C)C.CC(C)C1=CCN(C(=O)N(C)C)CC1.CC(C)C1=CCN(C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)C1CCNC(=O)C1.CC(C)[C@@H]1C[C@H]1c1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2=CCNCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1cccc(OC(F)(F)F)c1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2.C15H23NO.C15H21N.C14H19F2N.C14H19NO2.C14H19N.2C12H15NO.C12H16.C11H20N2O.C11H17N.C10H11F3O.C10H12O2.2C10H14O.C9H17N.C8H15NO.C8H15N.C6H12/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-4-12(14)13-11-7-5-6-10(8-11)9(2)3;1-4-12(14)13-11-8-6-5-7-10(11)9(2)3;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6/h4-7,13H,8-12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;4-8,12H,9-11H2,1-3H3;2*3-6,11H,7-10H2,1-2H3;3-7,11,15H,8-10H2,1-2H3;2*4-9H,1H2,2-3H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;5,9H,6-8H2,1-4H3;5-9H,1-4H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-3H3;4,8H,5-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);3,7,9H,4-6H2,1-2H3;5-6H,3-4H2,1-2H3/t;12-,13+;;;;;;;11-,12-;;;;;;;;;;/m........0........../s1
InChIKeyHUZJWANMJMLXCT-QSCFCIOTSA-N
XLogP51.71
TPSA261.35 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003412.00
LogP ≤ 551.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene?
The IUPAC name of 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene (CID 158595600) is 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene is C=CC(=O)Nc1cccc(C(C)C)c1.C=CC(=O)Nc1ccccc1C(C)C.CC(C)C1=CCN(C(=O)N(C)C)CC1.CC(C)C1=CCN(C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)C1CCNC(=O)C1.CC(C)[C@@H]1C[C@H]1c1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2=CCNCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1cccc(OC(F)(F)F)c1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.
What is the InChIKey of 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene?
The InChIKey is HUZJWANMJMLXCT-QSCFCIOTSA-N. The full InChI is InChI=1S/C15H24N2.C15H23NO.C15H21N.C14H19F2N.C14H19NO2.C14H19N.2C12H15NO.C12H16.C11H20N2O.C11H17N.C10H11F3O.C10H12O2.2C10H14O.C9H17N.C8H15NO.C8H15N.C6H12/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-4-12(14)13-11-7-5-6-10(8-11)9(2)3;1-4-12(14)13-11-8-6-5-7-10(11)9(2)3;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6/h4-7,13H,8-12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;4-8,12H,9-11H2,1-3H3;2*3-6,11H,7-10H2,1-2H3;3-7,11,15H,8-10H2,1-2H3;2*4-9H,1H2,2-3H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;5,9H,6-8H2,1-4H3;5-9H,1-4H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-3H3;4,8H,5-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);3,7,9H,4-6H2,1-2H3;5-6H,3-4H2,1-2H3/t;12-,13+;;;;;;;11-,12-;;;;;;;;;;/m........0........../s1.
What are the key properties of 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene?
4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene has a molecular weight of 3412.00 g/mol, XLogP of 51.71, 36 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;N-(2-propan-2-ylphenyl)prop-2-enamide;N-(3-propan-2-ylphenyl)prop-2-enamide;4-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine;4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 158595600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).