1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine

C195H271N31OS — CID 159301270

IUPAC1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-n2cccn2)cc(-n2cccn2)c1.c1cc(CN2CCCCC2)ns1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCOCC2)cc1.c1cnc(-c2cccc(-c3ncccn3)c2)nc1.c1cnc(-c2cccc(-n3cncn3)c2)nc1.c1cnc(-c2cccc(-n3nccn3)c2)nc1.c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C15H16N4.C14H10N4.2C12H9N5.C12H17N.C11H15N.3C11H9N.C10H14N2.C10H13NO.C9H7N3.C9H14N2S.12C4H10/c1-12(2)13-9-14(18-7-3-5-16-18)11-15(10-13)19-8-4-6-17-19;1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-3-10(12-14-5-2-6-15-12)7-11(4-1)17-9-13-8-16-17;1-3-10(12-13-5-2-6-14-12)9-11(4-1)17-15-7-8-16-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-8(7-10-4-1)9-11-5-2-6-12-9;1-2-5-11(6-3-1)8-9-4-7-12-10-9;12*1-4(2)3/h3-12H,1-2H3;1-10H;2*1-9H;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-10H2;3*1-9H;1-5,11H,6-9H2;1-5H,6-9H2;1-7H;4,7H,1-3,5-6,8H2;12*4H,1-3H3
InChIKeyLBJFGXAJGJEKOD-UHFFFAOYSA-N
MW3097.60 g/mol
LogP49.06
Rot. Bonds20

About 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine

1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine (PubChem CID 159301270) has the molecular formula C195H271N31OS and a molecular weight of 3097.60 g/mol. Its IUPAC name is 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine
PubChem CID159301270
Molecular FormulaC195H271N31OS
Molecular Weight3097.60 g/mol
Exact Mass3095.18
IUPAC Name1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-n2cccn2)cc(-n2cccn2)c1.c1cc(CN2CCCCC2)ns1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCOCC2)cc1.c1cnc(-c2cccc(-c3ncccn3)c2)nc1.c1cnc(-c2cccc(-n3cncn3)c2)nc1.c1cnc(-c2cccc(-n3nccn3)c2)nc1.c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C15H16N4.C14H10N4.2C12H9N5.C12H17N.C11H15N.3C11H9N.C10H14N2.C10H13NO.C9H7N3.C9H14N2S.12C4H10/c1-12(2)13-9-14(18-7-3-5-16-18)11-15(10-13)19-8-4-6-17-19;1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-3-10(12-14-5-2-6-15-12)7-11(4-1)17-9-13-8-16-17;1-3-10(12-13-5-2-6-14-12)9-11(4-1)17-15-7-8-16-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-8(7-10-4-1)9-11-5-2-6-12-9;1-2-5-11(6-3-1)8-9-4-7-12-10-9;12*1-4(2)3/h3-12H,1-2H3;1-10H;2*1-9H;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-10H2;3*1-9H;1-5,11H,6-9H2;1-5H,6-9H2;1-7H;4,7H,1-3,5-6,8H2;12*4H,1-3H3
InChIKeyLBJFGXAJGJEKOD-UHFFFAOYSA-N
XLogP49.06
TPSA327.87 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.60
LogP ≤ 549.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine with MolForge

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Related Compounds

N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
bis(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 123182332
4-[6-[5-(6-methyl-2-pyridinyl)-2-[[3-[[3-[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(morpholin-4-ylmethyl)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrrolidin-1-yl]methyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 132035498
N-[[5-(6-methyl-2-pyridinyl)-4-[2-[1-[[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)aniline
CID 132035502
N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
CID 143440126
2-[(dimethylamino)methyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;3-[(dimethylamino)methyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(piperidin-1-ylmethyl)aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(pyrrolidin-1-ylmethyl)aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 157572787
N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
CID 158259218
2-N,2-N-dimethyl-1-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]benzene-1,2-diamine;3-N,3-N-dimethyl-1-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]benzene-1,3-diamine;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-morpholin-4-ylaniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-morpholin-4-ylaniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-pyrrolidin-1-ylaniline
CID 158595852
N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine
CID 158675406
tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158679659
1,2-dimethyl-5-propan-2-ylbenzimidazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;3-methyl-7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
CID 158918755

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine?
The IUPAC name of 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine (CID 159301270) is 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine?
The canonical SMILES for 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-n2cccn2)cc(-n2cccn2)c1.c1cc(CN2CCCCC2)ns1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCNCC2)cc1.c1ccc(N2CCOCC2)cc1.c1cnc(-c2cccc(-c3ncccn3)c2)nc1.c1cnc(-c2cccc(-n3cncn3)c2)nc1.c1cnc(-c2cccc(-n3nccn3)c2)nc1.c1cnc(-c2cccnc2)nc1.
What is the InChIKey of 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine?
The InChIKey is LBJFGXAJGJEKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.C14H10N4.2C12H9N5.C12H17N.C11H15N.3C11H9N.C10H14N2.C10H13NO.C9H7N3.C9H14N2S.12C4H10/c1-12(2)13-9-14(18-7-3-5-16-18)11-15(10-13)19-8-4-6-17-19;1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-3-10(12-14-5-2-6-15-12)7-11(4-1)17-9-13-8-16-17;1-3-10(12-13-5-2-6-14-12)9-11(4-1)17-15-7-8-16-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-8(7-10-4-1)9-11-5-2-6-12-9;1-2-5-11(6-3-1)8-9-4-7-12-10-9;12*1-4(2)3/h3-12H,1-2H3;1-10H;2*1-9H;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-10H2;3*1-9H;1-5,11H,6-9H2;1-5H,6-9H2;1-7H;4,7H,1-3,5-6,8H2;12*4H,1-3H3.
What are the key properties of 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine?
1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine has a molecular weight of 3097.60 g/mol, XLogP of 49.06, 20 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine;dodecakis(2-methylpropane);4-phenylmorpholine;1-phenylpiperazine;1-phenylpiperidine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;3-(piperidin-1-ylmethyl)-1,2-thiazole;1-(3-propan-2-yl-5-pyrazol-1-ylphenyl)pyrazole;2-pyridin-3-ylpyrimidine;2-(3-pyrimidin-2-ylphenyl)pyrimidine;2-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine;2-[3-(triazol-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 159301270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).