benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole

C237H466F5N31O15S — CID 160527532

IUPACbenzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole
SMILESC1CCOCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC1(C)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CCc1nc(C(C)(C)C)no1.CN1CCCCC1.COC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.Cc1ccccc1.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Nc1ncccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1nc[nH]n1.c1ncon1
InChIInChI=1S/4C10H21NO.2C9H17F2N.C9H18FN.3C9H19NO.C9H19N.C8H14N2O.C8H17NO2S.C8H17NO.C7H13N3.C7H12N2O.C7H8.C6H13N.C6H6.2C5H5N.C5H10O.10C5H12.C4H5N3.C4H4O.C2H3N3.C2H2N2O/c2*1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-12-10(4,5)8-11;1-10(2,3)11-7-5-9(12-4)6-8-11;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;2*1-5-8-6(10-9-5)7(2,3)4;2*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;10*1-5(2,3)4;5-4-6-2-1-3-7-4;1-2-4-5-3-1;2*1-3-2-5-4-1/h2*8-9H,6-7H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3,(H,8,9,10);1-4H3;2-6H,1H3;2-6H2,1H3;1-6H;2*1-5H;1-5H2;10*1-4H3;1-3H,(H2,5,6,7);1-4H;1-2H,(H,3,4,5);1-2H/t8-,9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQVCKGHPNVQGLAL-BWGOQUFTSA-N
MW4117.59 g/mol
LogP57.87
Rot. Bonds2

About benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole

benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole (PubChem CID 160527532) has the molecular formula C237H466F5N31O15S and a molecular weight of 4117.59 g/mol. Its IUPAC name is benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole.

Molecular Properties

Compound Namebenzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole
PubChem CID160527532
Molecular FormulaC237H466F5N31O15S
Molecular Weight4117.59 g/mol
Exact Mass4114.63
IUPAC Namebenzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole
SMILESC1CCOCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC1(C)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CCc1nc(C(C)(C)C)no1.CN1CCCCC1.COC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.Cc1ccccc1.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Nc1ncccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1nc[nH]n1.c1ncon1
InChIInChI=1S/4C10H21NO.2C9H17F2N.C9H18FN.3C9H19NO.C9H19N.C8H14N2O.C8H17NO2S.C8H17NO.C7H13N3.C7H12N2O.C7H8.C6H13N.C6H6.2C5H5N.C5H10O.10C5H12.C4H5N3.C4H4O.C2H3N3.C2H2N2O/c2*1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-12-10(4,5)8-11;1-10(2,3)11-7-5-9(12-4)6-8-11;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;2*1-5-8-6(10-9-5)7(2,3)4;2*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;10*1-5(2,3)4;5-4-6-2-1-3-7-4;1-2-4-5-3-1;2*1-3-2-5-4-1/h2*8-9H,6-7H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3,(H,8,9,10);1-4H3;2-6H,1H3;2-6H2,1H3;1-6H;2*1-5H;1-5H2;10*1-4H3;1-3H,(H2,5,6,7);1-4H;1-2H,(H,3,4,5);1-2H/t8-,9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQVCKGHPNVQGLAL-BWGOQUFTSA-N
XLogP57.87
TPSA464.19 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds2
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004117.59
LogP ≤ 557.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole?
The IUPAC name of benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole (CID 160527532) is benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole.
What is the SMILES notation for benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole?
The canonical SMILES for benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole is C1CCOCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC1(C)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CCc1nc(C(C)(C)C)no1.CN1CCCCC1.COC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.Cc1ccccc1.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Nc1ncccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1nc[nH]n1.c1ncon1.
What is the InChIKey of benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole?
The InChIKey is QVCKGHPNVQGLAL-BWGOQUFTSA-N. The full InChI is InChI=1S/4C10H21NO.2C9H17F2N.C9H18FN.3C9H19NO.C9H19N.C8H14N2O.C8H17NO2S.C8H17NO.C7H13N3.C7H12N2O.C7H8.C6H13N.C6H6.2C5H5N.C5H10O.10C5H12.C4H5N3.C4H4O.C2H3N3.C2H2N2O/c2*1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-12-10(4,5)8-11;1-10(2,3)11-7-5-9(12-4)6-8-11;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-6-10-7-5-9;2*1-5-8-6(10-9-5)7(2,3)4;2*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;10*1-5(2,3)4;5-4-6-2-1-3-7-4;1-2-4-5-3-1;2*1-3-2-5-4-1/h2*8-9H,6-7H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3,(H,8,9,10);1-4H3;2-6H,1H3;2-6H2,1H3;1-6H;2*1-5H;1-5H2;10*1-4H3;1-3H,(H2,5,6,7);1-4H;1-2H,(H,3,4,5);1-2H/t8-,9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole?
benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole has a molecular weight of 4117.59 g/mol, XLogP of 57.87, 2 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;decakis(2,2-dimethylpropane);furan;1-methylpiperidine;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;toluene;1H-1,2,4-triazole is sourced from PubChem (CID 160527532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).