Organoheterocyclic compounds
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1-(3-Bromophenyl)piperidine, ≥97%, Thermo Scientific™
CAS: 84964-24-9 Molecular Formula: C11H14BrN Molecular Weight (g/mol): 240.14 MDL Number: MFCD04108532 InChI Key: PMTXPOLLPCSCBE-UHFFFAOYSA-N Synonym: 1-3-bromophenyl piperidine,3-bromophenyl piperidine,acmc-209pz4,n-3-bromophenyl piperidine,1-piperidino-3-bromobenzene PubChem CID: 4961269 IUPAC Name: 1-(3-bromophenyl)piperidine SMILES: BrC1=CC=CC(=C1)N1CCCCC1
| PubChem CID | 4961269 |
|---|---|
| CAS | 84964-24-9 |
| Molecular Weight (g/mol) | 240.14 |
| MDL Number | MFCD04108532 |
| SMILES | BrC1=CC=CC(=C1)N1CCCCC1 |
| Synonym | 1-3-bromophenyl piperidine,3-bromophenyl piperidine,acmc-209pz4,n-3-bromophenyl piperidine,1-piperidino-3-bromobenzene |
| IUPAC Name | 1-(3-bromophenyl)piperidine |
| InChI Key | PMTXPOLLPCSCBE-UHFFFAOYSA-N |
| Molecular Formula | C11H14BrN |
tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate, 97%, Thermo Scientific™
CAS: 156185-63-6 Molecular Formula: C13H25NO3 Molecular Weight (g/mol): 243.347 InChI Key: OXPWHPCCUXESFQ-UHFFFAOYSA-N Synonym: tert-butyl 4-3-hydroxypropyl piperidine-1-carboxylate,tert-butyl 4-3-hydroxypropyl tetrahydro-1 2h-pyridinecarboxylate,3-1-boc-4-piperidyl-1-propanol,1-n-boc-4-3'-propanol-piperdine,3-n-boc-piperidin-4-yl propanol,boc-4-piperidinepropanol,4-3-hydroxypropyl piperidine, n-boc protected,1-n-boc-4-3'-propanol-piperidine,4-3-hydroxy-propyl-piperidine-1-carboxylic acid tert-butyl ester,tert-butyl 4-3-hydroxypropyl piperidinecarboxylate PubChem CID: 2800739 IUPAC Name: tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCCO
| PubChem CID | 2800739 |
|---|---|
| CAS | 156185-63-6 |
| Molecular Weight (g/mol) | 243.347 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)CCCO |
| Synonym | tert-butyl 4-3-hydroxypropyl piperidine-1-carboxylate,tert-butyl 4-3-hydroxypropyl tetrahydro-1 2h-pyridinecarboxylate,3-1-boc-4-piperidyl-1-propanol,1-n-boc-4-3'-propanol-piperdine,3-n-boc-piperidin-4-yl propanol,boc-4-piperidinepropanol,4-3-hydroxypropyl piperidine, n-boc protected,1-n-boc-4-3'-propanol-piperidine,4-3-hydroxy-propyl-piperidine-1-carboxylic acid tert-butyl ester,tert-butyl 4-3-hydroxypropyl piperidinecarboxylate |
| IUPAC Name | tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate |
| InChI Key | OXPWHPCCUXESFQ-UHFFFAOYSA-N |
| Molecular Formula | C13H25NO3 |
[3-(Piperidinomethyl)phenyl]methanol, ≥90%, Thermo Scientific™
CAS: 73278-91-8 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.301 MDL Number: MFCD07772858 InChI Key: NZKXLHGCZWDXGE-UHFFFAOYSA-N Synonym: 3-piperidinomethyl phenyl methanol,3-piperidin-1-ylmethyl phenyl methanol,3-piperidinomethylbenzylalcohol,3-1-piperidylmethyl-benzyl alcohol,3-1-piperidinylmethyl benzenemethanol,3-piperidylmethyl phenyl methan-1-ol PubChem CID: 7164645 IUPAC Name: [3-(piperidin-1-ylmethyl)phenyl]methanol SMILES: C1CCN(CC1)CC2=CC(=CC=C2)CO
| PubChem CID | 7164645 |
|---|---|
| CAS | 73278-91-8 |
| Molecular Weight (g/mol) | 205.301 |
| MDL Number | MFCD07772858 |
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)CO |
| Synonym | 3-piperidinomethyl phenyl methanol,3-piperidin-1-ylmethyl phenyl methanol,3-piperidinomethylbenzylalcohol,3-1-piperidylmethyl-benzyl alcohol,3-1-piperidinylmethyl benzenemethanol,3-piperidylmethyl phenyl methan-1-ol |
| IUPAC Name | [3-(piperidin-1-ylmethyl)phenyl]methanol |
| InChI Key | NZKXLHGCZWDXGE-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO |
4-(Piperidin-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 727733-92-8 Molecular Formula: C13H16N2 Molecular Weight (g/mol): 200.285 MDL Number: MFCD06796182 InChI Key: JOGVBKNLRQCYKS-UHFFFAOYSA-N Synonym: 4-piperidin-1-ylmethyl benzonitrile,1-4-cyanobenzyl piperidine,4-piperidinomethyl benzonitrile,4-piperidylmethyl benzenecarbonitrile,4-piperidin-1-ylmethyl-benzonitrile,benzonitrile,4-1-piperidinylmethyl PubChem CID: 7537603 IUPAC Name: 4-(piperidin-1-ylmethyl)benzonitrile SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C#N
| PubChem CID | 7537603 |
|---|---|
| CAS | 727733-92-8 |
| Molecular Weight (g/mol) | 200.285 |
| MDL Number | MFCD06796182 |
| SMILES | C1CCN(CC1)CC2=CC=C(C=C2)C#N |
| Synonym | 4-piperidin-1-ylmethyl benzonitrile,1-4-cyanobenzyl piperidine,4-piperidinomethyl benzonitrile,4-piperidylmethyl benzenecarbonitrile,4-piperidin-1-ylmethyl-benzonitrile,benzonitrile,4-1-piperidinylmethyl |
| IUPAC Name | 4-(piperidin-1-ylmethyl)benzonitrile |
| InChI Key | JOGVBKNLRQCYKS-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2 |
tert-butyl 4-(4-bromobenzyloxy)piperidine-1-carboxylate, 97%, Thermo Scientific™
CAS: 930111-10-7 Molecular Formula: C17H24BrNO3 Molecular Weight (g/mol): 370.287 MDL Number: MFCD09879975 InChI Key: HGSFDBSIEHXEQD-UHFFFAOYSA-N Synonym: tert-butyl 4-4-bromobenzyloxy piperidine-1-carboxylate,tert-butyl 4-4-bromobenzyl oxy piperidine-1-carboxylate,tert-butyl 4-4-bromophenyl methoxy piperidine-1-carboxylate,4-4-bromobenzyloxy piperidine PubChem CID: 24229758 IUPAC Name: tert-butyl 4-[(4-bromophenyl)methoxy]piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)Br
| PubChem CID | 24229758 |
|---|---|
| CAS | 930111-10-7 |
| Molecular Weight (g/mol) | 370.287 |
| MDL Number | MFCD09879975 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)Br |
| Synonym | tert-butyl 4-4-bromobenzyloxy piperidine-1-carboxylate,tert-butyl 4-4-bromobenzyl oxy piperidine-1-carboxylate,tert-butyl 4-4-bromophenyl methoxy piperidine-1-carboxylate,4-4-bromobenzyloxy piperidine |
| IUPAC Name | tert-butyl 4-[(4-bromophenyl)methoxy]piperidine-1-carboxylate |
| InChI Key | HGSFDBSIEHXEQD-UHFFFAOYSA-N |
| Molecular Formula | C17H24BrNO3 |
(4-Piperidinophenyl)methylamine, 97%, Thermo Scientific™
CAS: 214759-73-6 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD06659080 InChI Key: WROBJEHXMLQDQP-UHFFFAOYSA-N Synonym: 4-piperidinophenyl methylamine,4-piperidin-1-yl phenyl methanamine,4-piperidinobenzylamine,4-piperidin-1-yl-benzylamine,1-4-piperidin-1-yl phenyl methanamine,4-piperidin-1yl benzylamine,4-piperidin-1ylphenyl methylamine,4-piperidylphenyl methylamine,4-1-piperidyl phenyl methanamine PubChem CID: 2795551 IUPAC Name: (4-piperidin-1-ylphenyl)methanamine SMILES: NCC1=CC=C(C=C1)N1CCCCC1
| PubChem CID | 2795551 |
|---|---|
| CAS | 214759-73-6 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD06659080 |
| SMILES | NCC1=CC=C(C=C1)N1CCCCC1 |
| Synonym | 4-piperidinophenyl methylamine,4-piperidin-1-yl phenyl methanamine,4-piperidinobenzylamine,4-piperidin-1-yl-benzylamine,1-4-piperidin-1-yl phenyl methanamine,4-piperidin-1yl benzylamine,4-piperidin-1ylphenyl methylamine,4-piperidylphenyl methylamine,4-1-piperidyl phenyl methanamine |
| IUPAC Name | (4-piperidin-1-ylphenyl)methanamine |
| InChI Key | WROBJEHXMLQDQP-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2 |
4-(1H-Imidazol-1-yl)benzenecarbothioamide, 97%, Thermo Scientific™
CAS: 423769-74-8 Molecular Formula: C10H9N3S Molecular Weight (g/mol): 203.263 MDL Number: MFCD03659704 InChI Key: QUJXJNDFQWCYLF-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-yl benzenecarbothioamide,benzenecarbothioamide,4-1h-imidazol-1-yl,4-imidazol-1-yl benzenecarbothioamide,amino 4-imidazolylphenyl methane-1-thione,4-1h-imidazol-1-yl benzothioamide PubChem CID: 2776487 IUPAC Name: 4-imidazol-1-ylbenzenecarbothioamide SMILES: C1=CC(=CC=C1C(=S)N)N2C=CN=C2
| PubChem CID | 2776487 |
|---|---|
| CAS | 423769-74-8 |
| Molecular Weight (g/mol) | 203.263 |
| MDL Number | MFCD03659704 |
| SMILES | C1=CC(=CC=C1C(=S)N)N2C=CN=C2 |
| Synonym | 4-1h-imidazol-1-yl benzenecarbothioamide,benzenecarbothioamide,4-1h-imidazol-1-yl,4-imidazol-1-yl benzenecarbothioamide,amino 4-imidazolylphenyl methane-1-thione,4-1h-imidazol-1-yl benzothioamide |
| IUPAC Name | 4-imidazol-1-ylbenzenecarbothioamide |
| InChI Key | QUJXJNDFQWCYLF-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3S |
1-Methyl-1H-imidazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 41806-40-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00955677 InChI Key: PBEDVTDUVXFSMW-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-5-carboxylic acid,1-methylimidazole-5-carboxylic acid,5-carboxy-1-methyl-1h-imidazole,3-methyl-3h-imidazole-4-carboxylic acid,1-methyl-1h-imidazole-5-carboxylicacid,1-methyl-1h-5-imidazolecarboxylic acid,pubchem20954,acmc-209jlu,ksc236i7p,1-methyl-5-imidazolecarboxylic acid PubChem CID: 2773507 IUPAC Name: 3-methylimidazole-4-carboxylic acid SMILES: CN1C=NC=C1C(=O)O
| PubChem CID | 2773507 |
|---|---|
| CAS | 41806-40-0 |
| Molecular Weight (g/mol) | 126.115 |
| MDL Number | MFCD00955677 |
| SMILES | CN1C=NC=C1C(=O)O |
| Synonym | 1-methyl-1h-imidazole-5-carboxylic acid,1-methylimidazole-5-carboxylic acid,5-carboxy-1-methyl-1h-imidazole,3-methyl-3h-imidazole-4-carboxylic acid,1-methyl-1h-imidazole-5-carboxylicacid,1-methyl-1h-5-imidazolecarboxylic acid,pubchem20954,acmc-209jlu,ksc236i7p,1-methyl-5-imidazolecarboxylic acid |
| IUPAC Name | 3-methylimidazole-4-carboxylic acid |
| InChI Key | PBEDVTDUVXFSMW-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
3-(1H-Imidazol-1-yl)propanoic acid, ≥97%, Thermo Scientific™
CAS: 18999-45-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD02731119 InChI Key: VSFNAZLYGOOSEY-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-yl propanoic acid,3-imidazol-1-yl-propionic acid,1h-imidazole-1-propanoic acid,3-1-imidazolyl propanoic acid,chembl20724,3-imidazolylpropanoic acid,3-imidazol-1-yl-propionicacid,3-1-imidazolyl propionic acid,3 1h-imidazol-1-yl propanoic acid PubChem CID: 2794718 IUPAC Name: 3-imidazol-1-ylpropanoic acid SMILES: C1=CN(C=N1)CCC(=O)O
| PubChem CID | 2794718 |
|---|---|
| CAS | 18999-45-6 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD02731119 |
| SMILES | C1=CN(C=N1)CCC(=O)O |
| Synonym | 3-1h-imidazol-1-yl propanoic acid,3-imidazol-1-yl-propionic acid,1h-imidazole-1-propanoic acid,3-1-imidazolyl propanoic acid,chembl20724,3-imidazolylpropanoic acid,3-imidazol-1-yl-propionicacid,3-1-imidazolyl propionic acid,3 1h-imidazol-1-yl propanoic acid |
| IUPAC Name | 3-imidazol-1-ylpropanoic acid |
| InChI Key | VSFNAZLYGOOSEY-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate, 97%, Thermo Scientific™
CAS: 37972-69-3 Molecular Formula: C5H3N2O3 Molecular Weight (g/mol): 139.09 MDL Number: MFCD09064936 InChI Key: GIFSROMQVPUQFK-UHFFFAOYSA-M Synonym: 6-hydroxypyridazine-3-carboxylic acid,6-hydroxy-3-pyridazinecarboxylic acid,6-oxo-1,6-dihydropyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid,3-hydroxypyridazine-6-carboxylic acid,3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo,6-hydroxy-pyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid,3-pyridazinecarboxylicacid, 1,6-dihydro-6-oxo,6-oxohydropyridazine-3-carboxylic acid PubChem CID: 305970 IUPAC Name: 6-oxo-1H-pyridazine-3-carboxylic acid SMILES: [O-]C(=O)C1=NNC(=O)C=C1
| PubChem CID | 305970 |
|---|---|
| CAS | 37972-69-3 |
| Molecular Weight (g/mol) | 139.09 |
| MDL Number | MFCD09064936 |
| SMILES | [O-]C(=O)C1=NNC(=O)C=C1 |
| Synonym | 6-hydroxypyridazine-3-carboxylic acid,6-hydroxy-3-pyridazinecarboxylic acid,6-oxo-1,6-dihydropyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid,3-hydroxypyridazine-6-carboxylic acid,3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo,6-hydroxy-pyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid,3-pyridazinecarboxylicacid, 1,6-dihydro-6-oxo,6-oxohydropyridazine-3-carboxylic acid |
| IUPAC Name | 6-oxo-1H-pyridazine-3-carboxylic acid |
| InChI Key | GIFSROMQVPUQFK-UHFFFAOYSA-M |
| Molecular Formula | C5H3N2O3 |
2-Methyl-2H-indazole-3-carbaldehyde, 97%, Thermo Scientific™
CAS: 34252-54-5 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00839530 InChI Key: SMWLSZQHLMZHHV-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl PubChem CID: 818117 IUPAC Name: 2-methylindazole-3-carbaldehyde SMILES: CN1N=C2C=CC=CC2=C1C=O
| PubChem CID | 818117 |
|---|---|
| CAS | 34252-54-5 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00839530 |
| SMILES | CN1N=C2C=CC=CC2=C1C=O |
| Synonym | 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl |
| IUPAC Name | 2-methylindazole-3-carbaldehyde |
| InChI Key | SMWLSZQHLMZHHV-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
[5-(2-Furyl)-1H-pyrazol-3-yl]methanol, 97%, Thermo Scientific™
CAS: 84978-67-6 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 InChI Key: NBADTAIDQSLLHA-UHFFFAOYSA-N Synonym: 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol PubChem CID: 7060534 IUPAC Name: [3-(furan-2-yl)-1H-pyrazol-5-yl]methanol SMILES: C1=COC(=C1)C2=NNC(=C2)CO
| PubChem CID | 7060534 |
|---|---|
| CAS | 84978-67-6 |
| Molecular Weight (g/mol) | 164.164 |
| SMILES | C1=COC(=C1)C2=NNC(=C2)CO |
| Synonym | 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol |
| IUPAC Name | [3-(furan-2-yl)-1H-pyrazol-5-yl]methanol |
| InChI Key | NBADTAIDQSLLHA-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O2 |
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride, 97+%, Thermo Scientific™
CAS: 519056-67-8 Molecular Formula: C5H4ClF3N2O2S Molecular Weight (g/mol): 248.604 InChI Key: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
| PubChem CID | 2794561 |
|---|---|
| CAS | 519056-67-8 |
| Molecular Weight (g/mol) | 248.604 |
| SMILES | CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl |
| Synonym | 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl |
| IUPAC Name | 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride |
| InChI Key | HJFWSNIHZZKYIK-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClF3N2O2S |
5-(Trifluoromethyl)-1H-indazole, 97%, Thermo Scientific™
CAS: 885271-64-7 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 InChI Key: WBHMPANPIGWXQV-UHFFFAOYSA-N Synonym: 5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl PubChem CID: 21409222 IUPAC Name: 5-(trifluoromethyl)-1H-indazole SMILES: C1=CC2=C(C=C1C(F)(F)F)C=NN2
| PubChem CID | 21409222 |
|---|---|
| CAS | 885271-64-7 |
| Molecular Weight (g/mol) | 186.137 |
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C=NN2 |
| Synonym | 5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl |
| IUPAC Name | 5-(trifluoromethyl)-1H-indazole |
| InChI Key | WBHMPANPIGWXQV-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |