benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal

C156H151F10N21O23S2 — CID 160759121

IUPACbenzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2C=O)CC1.CCc1ccc(C=O)cc1.CN(C)c1ncccc1C=O.Cc1nc2ccccn2c1C=O.O=CC(F)(F)C(F)(F)C(F)(F)F.O=CC1=CCc2ncccc21.O=CC1CCN(Cc2ccccc2)CC1.O=CC1CCOCC1.O=CCC(F)(F)F.O=Cc1ccc(N2CCSCC2)cc1.O=Cc1ccc2cccnc2n1.O=Cc1ccc2nccn2c1.O=Cc1ccc2nccnc2c1.O=Cc1cccc(-c2ccccn2)c1.O=Cc1cccc2ncccc12.O=Cc1ccccc1.O=Cc1cncnc1.O=Cc1cscn1.O=Cc1ncco1
InChIInChI=1S/C16H22N2O3.C13H17NO.C12H9NO.C11H13NOS.C10H7NO.C9H8N2O.2C9H6N2O.C9H7NO.C9H10O.C8H6N2O.C8H10N2O.C7H6O.C6H10O2.C5H4N2O.C4HF7O.C4H3NO2.C4H3NOS.C3H3F3O/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12;14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12;13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;12-7-8-3-1-5-10-9(8)4-2-6-11-10;1-7-8(6-12)11-5-3-2-4-9(11)10-7;12-6-7-1-2-8-9(5-7)11-4-3-10-8;12-6-8-4-3-7-2-1-5-10-9(7)11-8;11-6-7-3-4-9-8(7)2-1-5-10-9;1-2-8-3-5-9(7-10)6-4-8;11-6-7-1-2-8-9-3-4-10(8)5-7;1-10(2)8-7(6-11)4-3-5-9-8;8-6-7-4-2-1-3-5-7;7-5-6-1-3-8-4-2-6;8-3-5-1-6-4-7-2-5;5-2(6,1-12)3(7,8)4(9,10)11;6-3-4-5-1-2-7-4;6-1-4-2-7-3-5-4;4-3(5,6)1-2-7/h4-7,12H,8-11H2,1-3H3;1-5,11,13H,6-10H2;1-9H;1-4,9H,5-8H2;1-7H;2-6H,1H3;2*1-6H;1-3,5-6H,4H2;3-7H,2H2,1H3;1-6H;3-6H,1-2H3;1-6H;5-6H,1-4H2;1-4H;1H;2*1-3H;2H,1H2
InChIKeyRXVANSCBTGIQCS-UHFFFAOYSA-N
MW2942.16 g/mol
LogP28.04
Rot. Bonds27

About benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal

benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal (PubChem CID 160759121) has the molecular formula C156H151F10N21O23S2 and a molecular weight of 2942.16 g/mol. Its IUPAC name is benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal.

Molecular Properties

Compound Namebenzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal
PubChem CID160759121
Molecular FormulaC156H151F10N21O23S2
Molecular Weight2942.16 g/mol
Exact Mass2940.06
IUPAC Namebenzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2C=O)CC1.CCc1ccc(C=O)cc1.CN(C)c1ncccc1C=O.Cc1nc2ccccn2c1C=O.O=CC(F)(F)C(F)(F)C(F)(F)F.O=CC1=CCc2ncccc21.O=CC1CCN(Cc2ccccc2)CC1.O=CC1CCOCC1.O=CCC(F)(F)F.O=Cc1ccc(N2CCSCC2)cc1.O=Cc1ccc2cccnc2n1.O=Cc1ccc2nccn2c1.O=Cc1ccc2nccnc2c1.O=Cc1cccc(-c2ccccn2)c1.O=Cc1cccc2ncccc12.O=Cc1ccccc1.O=Cc1cncnc1.O=Cc1cscn1.O=Cc1ncco1
InChIInChI=1S/C16H22N2O3.C13H17NO.C12H9NO.C11H13NOS.C10H7NO.C9H8N2O.2C9H6N2O.C9H7NO.C9H10O.C8H6N2O.C8H10N2O.C7H6O.C6H10O2.C5H4N2O.C4HF7O.C4H3NO2.C4H3NOS.C3H3F3O/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12;14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12;13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;12-7-8-3-1-5-10-9(8)4-2-6-11-10;1-7-8(6-12)11-5-3-2-4-9(11)10-7;12-6-7-1-2-8-9(5-7)11-4-3-10-8;12-6-8-4-3-7-2-1-5-10-9(7)11-8;11-6-7-3-4-9-8(7)2-1-5-10-9;1-2-8-3-5-9(7-10)6-4-8;11-6-7-1-2-8-9-3-4-10(8)5-7;1-10(2)8-7(6-11)4-3-5-9-8;8-6-7-4-2-1-3-5-7;7-5-6-1-3-8-4-2-6;8-3-5-1-6-4-7-2-5;5-2(6,1-12)3(7,8)4(9,10)11;6-3-4-5-1-2-7-4;6-1-4-2-7-3-5-4;4-3(5,6)1-2-7/h4-7,12H,8-11H2,1-3H3;1-5,11,13H,6-10H2;1-9H;1-4,9H,5-8H2;1-7H;2-6H,1H3;2*1-6H;1-3,5-6H,4H2;3-7H,2H2,1H3;1-6H;3-6H,1-2H3;1-6H;5-6H,1-4H2;1-4H;1H;2*1-3H;2H,1H2
InChIKeyRXVANSCBTGIQCS-UHFFFAOYSA-N
XLogP28.04
TPSA578.48 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002942.16
LogP ≤ 528.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal with MolForge

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Related Compounds

tert-butyl 4-(6-formylquinolin-4-yl)piperazine-1-carboxylate
CID 58441664
tert-butyl 4-[4-(6-formylbenzimidazol-1-yl)phenyl]piperazine-1-carboxylate
CID 89493864
1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
CID 158992619
tert-butyl 4-[4-[2-methyl-7-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]thieno[3,2-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 177173050
tert-butyl 4-[1-(3-chlorophenyl)-5-(oxan-4-yloxy)-6-oxopyridazin-4-yl]piperazine-1-carboxylate
CID 66552126
tert-butyl 4-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]phenyl]-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 146241163
tert-butyl 4-[4-[3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471468
tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-cyclopropylcarbamate
CID 171103409
tert-butyl 4-[4-[3-(1-benzylpyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 118523915
tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate
CID 53402759
N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide
CID 160759386
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal?
The IUPAC name of benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal (CID 160759121) is benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal.
What is the SMILES notation for benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal?
The canonical SMILES for benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal is CC(C)(C)OC(=O)N1CCN(c2ccccc2C=O)CC1.CCc1ccc(C=O)cc1.CN(C)c1ncccc1C=O.Cc1nc2ccccn2c1C=O.O=CC(F)(F)C(F)(F)C(F)(F)F.O=CC1=CCc2ncccc21.O=CC1CCN(Cc2ccccc2)CC1.O=CC1CCOCC1.O=CCC(F)(F)F.O=Cc1ccc(N2CCSCC2)cc1.O=Cc1ccc2cccnc2n1.O=Cc1ccc2nccn2c1.O=Cc1ccc2nccnc2c1.O=Cc1cccc(-c2ccccn2)c1.O=Cc1cccc2ncccc12.O=Cc1ccccc1.O=Cc1cncnc1.O=Cc1cscn1.O=Cc1ncco1.
What is the InChIKey of benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal?
The InChIKey is RXVANSCBTGIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.C13H17NO.C12H9NO.C11H13NOS.C10H7NO.C9H8N2O.2C9H6N2O.C9H7NO.C9H10O.C8H6N2O.C8H10N2O.C7H6O.C6H10O2.C5H4N2O.C4HF7O.C4H3NO2.C4H3NOS.C3H3F3O/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12;14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12;13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;12-7-8-3-1-5-10-9(8)4-2-6-11-10;1-7-8(6-12)11-5-3-2-4-9(11)10-7;12-6-7-1-2-8-9(5-7)11-4-3-10-8;12-6-8-4-3-7-2-1-5-10-9(7)11-8;11-6-7-3-4-9-8(7)2-1-5-10-9;1-2-8-3-5-9(7-10)6-4-8;11-6-7-1-2-8-9-3-4-10(8)5-7;1-10(2)8-7(6-11)4-3-5-9-8;8-6-7-4-2-1-3-5-7;7-5-6-1-3-8-4-2-6;8-3-5-1-6-4-7-2-5;5-2(6,1-12)3(7,8)4(9,10)11;6-3-4-5-1-2-7-4;6-1-4-2-7-3-5-4;4-3(5,6)1-2-7/h4-7,12H,8-11H2,1-3H3;1-5,11,13H,6-10H2;1-9H;1-4,9H,5-8H2;1-7H;2-6H,1H3;2*1-6H;1-3,5-6H,4H2;3-7H,2H2,1H3;1-6H;3-6H,1-2H3;1-6H;5-6H,1-4H2;1-4H;1H;2*1-3H;2H,1H2.
What are the key properties of benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal?
benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal has a molecular weight of 2942.16 g/mol, XLogP of 28.04, 27 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal is sourced from PubChem (CID 160759121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).