Organoheterocyclic compounds
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tert-Butyl 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate 98.0+%, TCI America™
CAS: 877399-74-1 Molecular Formula: C19H32BN3O4 Molecular Weight (g/mol): 377.292 MDL Number: MFCD11112131 InChI Key: QSQWENQPOSRWLP-UHFFFAOYSA-N Synonym: 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid tert-Butyl Ester, 2-[1-(1-Boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1-(1-Boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester PubChem CID: 45480279 IUPAC Name: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C
| PubChem CID | 45480279 |
|---|---|
| CAS | 877399-74-1 |
| Molecular Weight (g/mol) | 377.292 |
| MDL Number | MFCD11112131 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C |
| Synonym | 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid tert-Butyl Ester, 2-[1-(1-Boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1-(1-Boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester |
| IUPAC Name | tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate |
| InChI Key | QSQWENQPOSRWLP-UHFFFAOYSA-N |
| Molecular Formula | C19H32BN3O4 |
4-Amino-1-isopropylpiperidine 98.0+%, TCI America™
CAS: 127285-08-9 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.25 MDL Number: MFCD03411606 InChI Key: ZRQQXFMGYSOKDF-UHFFFAOYSA-N PubChem CID: 3163333 IUPAC Name: 1-(propan-2-yl)piperidin-4-amine SMILES: CC(C)N1CCC(N)CC1
| PubChem CID | 3163333 |
|---|---|
| CAS | 127285-08-9 |
| Molecular Weight (g/mol) | 142.25 |
| MDL Number | MFCD03411606 |
| SMILES | CC(C)N1CCC(N)CC1 |
| IUPAC Name | 1-(propan-2-yl)piperidin-4-amine |
| InChI Key | ZRQQXFMGYSOKDF-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
Mepivacaine Hydrochloride 98.0+%, TCI America™
CAS: 1722-62-9 Molecular Formula: C15H23ClN2O Molecular Weight (g/mol): 282.812 MDL Number: MFCD00144738 InChI Key: RETIMRUQNCDCQB-UHFFFAOYSA-N Synonym: N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride PubChem CID: 66070 ChEBI: CHEBI:6760 IUPAC Name: N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl
| PubChem CID | 66070 |
|---|---|
| CAS | 1722-62-9 |
| Molecular Weight (g/mol) | 282.812 |
| ChEBI | CHEBI:6760 |
| MDL Number | MFCD00144738 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl |
| Synonym | N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride |
| IUPAC Name | N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride |
| InChI Key | RETIMRUQNCDCQB-UHFFFAOYSA-N |
| Molecular Formula | C15H23ClN2O |
tert-Butyl 4-(N-Methoxy-N-methylcarbamoyl)-1-piperidinecarboxylate 98.0+%, TCI America™
CAS: 139290-70-3 Molecular Formula: C13H24N2O4 Molecular Weight (g/mol): 272.35 MDL Number: MFCD07368262 InChI Key: ITCQNWXLNZGEHP-UHFFFAOYSA-N Synonym: 4-(N-Methoxy-N-methylcarbamoyl)-1-piperidinecarboxylic Acid tert-Butyl Ester, 1-(tert-Butoxycarbonyl)-N-methoxy-N-methyl-4-piperidinecarboxamide, 1-Boc-N-methoxy-N-methyl-4-piperidinecarboxamide, 1-(tert-Butoxycarbonyl)-4-(N-methoxy-N-methylcarbamoyl)pipe PubChem CID: 11065582 IUPAC Name: tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate SMILES: CON(C)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
| PubChem CID | 11065582 |
|---|---|
| CAS | 139290-70-3 |
| Molecular Weight (g/mol) | 272.35 |
| MDL Number | MFCD07368262 |
| SMILES | CON(C)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonym | 4-(N-Methoxy-N-methylcarbamoyl)-1-piperidinecarboxylic Acid tert-Butyl Ester, 1-(tert-Butoxycarbonyl)-N-methoxy-N-methyl-4-piperidinecarboxamide, 1-Boc-N-methoxy-N-methyl-4-piperidinecarboxamide, 1-(tert-Butoxycarbonyl)-4-(N-methoxy-N-methylcarbamoyl)pipe |
| IUPAC Name | tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate |
| InChI Key | ITCQNWXLNZGEHP-UHFFFAOYSA-N |
| Molecular Formula | C13H24N2O4 |
1-(tert-Butoxycarbonyl)-4-hydroxypiperidine 97.0+%, TCI America™
CAS: 109384-19-2 Molecular Formula: C10H19NO3 Molecular Weight (g/mol): 201.266 InChI Key: PWQLFIKTGRINFF-UHFFFAOYSA-N Synonym: n-boc-4-hydroxypiperidine,1-boc-4-hydroxypiperidine,n-boc-4-piperidinol,1-boc-4-piperidinol,n-boc-4-hydroxylpiperidine,n-boc-4-hydroxy piperidine,1-tert-butoxycarbonyl-4-hydroxypiperidine,4-hydroxy-n-boc-piperidine,1-boc-4-hydroxy-piperidine PubChem CID: 643502 IUPAC Name: tert-butyl 4-hydroxypiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)O
| PubChem CID | 643502 |
|---|---|
| CAS | 109384-19-2 |
| Molecular Weight (g/mol) | 201.266 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)O |
| Synonym | n-boc-4-hydroxypiperidine,1-boc-4-hydroxypiperidine,n-boc-4-piperidinol,1-boc-4-piperidinol,n-boc-4-hydroxylpiperidine,n-boc-4-hydroxy piperidine,1-tert-butoxycarbonyl-4-hydroxypiperidine,4-hydroxy-n-boc-piperidine,1-boc-4-hydroxy-piperidine |
| IUPAC Name | tert-butyl 4-hydroxypiperidine-1-carboxylate |
| InChI Key | PWQLFIKTGRINFF-UHFFFAOYSA-N |
| Molecular Formula | C10H19NO3 |
1-(tert-Butoxycarbonyl)-2-piperidinecarboxylic Acid 98.0+%, TCI America™
CAS: 98303-20-9 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.276 MDL Number: MFCD01862877 InChI Key: JQAOHGMPAAWWQO-UHFFFAOYSA-N Synonym: n-boc-2-piperidinecarboxylic acid,1-tert-butoxycarbonyl piperidine-2-carboxylic acid,1-boc-piperidine-2-carboxylic acid,n-boc-dl-pipecolinic acid,n-boc-piperidine-2-carboxylic acid,boc-dl-pip-oh,n-boc-pipecolic acid,1-n-boc-2-piperidinecarboxylic acid,1-tert-butoxy carbonyl piperidine-2-carboxylic acid,1-tert-butoxycarbonyl-2-piperidinecarboxylic acid PubChem CID: 581831 IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)O
| PubChem CID | 581831 |
|---|---|
| CAS | 98303-20-9 |
| Molecular Weight (g/mol) | 229.276 |
| MDL Number | MFCD01862877 |
| SMILES | CC(C)(C)OC(=O)N1CCCCC1C(=O)O |
| Synonym | n-boc-2-piperidinecarboxylic acid,1-tert-butoxycarbonyl piperidine-2-carboxylic acid,1-boc-piperidine-2-carboxylic acid,n-boc-dl-pipecolinic acid,n-boc-piperidine-2-carboxylic acid,boc-dl-pip-oh,n-boc-pipecolic acid,1-n-boc-2-piperidinecarboxylic acid,1-tert-butoxy carbonyl piperidine-2-carboxylic acid,1-tert-butoxycarbonyl-2-piperidinecarboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| InChI Key | JQAOHGMPAAWWQO-UHFFFAOYSA-N |
| Molecular Formula | C11H19NO4 |
1-(3-Hydroxybenzyl)piperidine 98.0+%, TCI America™
CAS: 73279-04-6 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00800250 InChI Key: ORGBERFQYFWYGX-UHFFFAOYSA-N Synonym: 3-1-piperidinylmethyl phenol,3-piperidin-1-ylmethyl phenol,3-1-piperidinomethyl phenol,1-3-hydroxybenzyl piperidine,3-piperidinomethyl phenol,3-1-piperidylmethyl phenol,phenol, 3-1-piperidinylmethyl,1-3-hydroxyphenylmethyl piperidine,pubchem6815,3-piperidinomethylphenol PubChem CID: 826974 IUPAC Name: 3-(piperidin-1-ylmethyl)phenol SMILES: C1CCN(CC1)CC2=CC(=CC=C2)O
| PubChem CID | 826974 |
|---|---|
| CAS | 73279-04-6 |
| Molecular Weight (g/mol) | 191.274 |
| MDL Number | MFCD00800250 |
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)O |
| Synonym | 3-1-piperidinylmethyl phenol,3-piperidin-1-ylmethyl phenol,3-1-piperidinomethyl phenol,1-3-hydroxybenzyl piperidine,3-piperidinomethyl phenol,3-1-piperidylmethyl phenol,phenol, 3-1-piperidinylmethyl,1-3-hydroxyphenylmethyl piperidine,pubchem6815,3-piperidinomethylphenol |
| IUPAC Name | 3-(piperidin-1-ylmethyl)phenol |
| InChI Key | ORGBERFQYFWYGX-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
1,5-Dimethyl-3-(trifluoromethyl)pyrazole 98.0+%, TCI America™
CAS: 79080-31-2 Molecular Formula: C6H7F3N2 Molecular Weight (g/mol): 164.131 MDL Number: MFCD04972844 InChI Key: LGTRXZPAYGKNLP-UHFFFAOYSA-N PubChem CID: 12747525 IUPAC Name: 1,5-dimethyl-3-(trifluoromethyl)pyrazole SMILES: CC1=CC(=NN1C)C(F)(F)F
| PubChem CID | 12747525 |
|---|---|
| CAS | 79080-31-2 |
| Molecular Weight (g/mol) | 164.131 |
| MDL Number | MFCD04972844 |
| SMILES | CC1=CC(=NN1C)C(F)(F)F |
| IUPAC Name | 1,5-dimethyl-3-(trifluoromethyl)pyrazole |
| InChI Key | LGTRXZPAYGKNLP-UHFFFAOYSA-N |
| Molecular Formula | C6H7F3N2 |
3-Amino-5-hydroxypyrazole 98.0+%, TCI America™
CAS: 6126-22-3 Molecular Formula: C3H5N3O Molecular Weight (g/mol): 99.093 MDL Number: MFCD00022384 InChI Key: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC Name: 5-amino-1,2-dihydropyrazol-3-one SMILES: C1=C(NNC1=O)N
| PubChem CID | 96221 |
|---|---|
| CAS | 6126-22-3 |
| Molecular Weight (g/mol) | 99.093 |
| MDL Number | MFCD00022384 |
| SMILES | C1=C(NNC1=O)N |
| Synonym | 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino |
| IUPAC Name | 5-amino-1,2-dihydropyrazol-3-one |
| InChI Key | QZBGOTVBHYKUDS-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3O |
Methyl 3-Furancarboxylate 96.0+%, TCI America™
CAS: 13129-23-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD06203671 InChI Key: ZKHQSQYLKSSYIP-UHFFFAOYSA-N Synonym: 3-Furoic Acid Methyl Ester, 3-Furancarboxylic Acid Methyl Ester, Methyl 3-Furoate PubChem CID: 14918 IUPAC Name: methyl furan-3-carboxylate SMILES: COC(=O)C1=COC=C1
| PubChem CID | 14918 |
|---|---|
| CAS | 13129-23-2 |
| Molecular Weight (g/mol) | 126.111 |
| MDL Number | MFCD06203671 |
| SMILES | COC(=O)C1=COC=C1 |
| Synonym | 3-Furoic Acid Methyl Ester, 3-Furancarboxylic Acid Methyl Ester, Methyl 3-Furoate |
| IUPAC Name | methyl furan-3-carboxylate |
| InChI Key | ZKHQSQYLKSSYIP-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine 97.0+%, TCI America™
CAS: 83255-86-1 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.026 MDL Number: MFCD12196922 InChI Key: GZQVGSRUUTUJNG-UHFFFAOYSA-N Synonym: 4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidine PubChem CID: 340230 IUPAC Name: 3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-amine SMILES: C1=NC2=NNC(=C2C(=N1)N)Br
| PubChem CID | 340230 |
|---|---|
| CAS | 83255-86-1 |
| Molecular Weight (g/mol) | 214.026 |
| MDL Number | MFCD12196922 |
| SMILES | C1=NC2=NNC(=C2C(=N1)N)Br |
| Synonym | 4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| InChI Key | GZQVGSRUUTUJNG-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN5 |
3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine 98.0+%, TCI America™
CAS: 151266-23-8 Molecular Formula: C5H4IN5 Molecular Weight (g/mol): 261.03 MDL Number: MFCD03787931 InChI Key: HQAIUXZORKJOJY-UHFFFAOYSA-N PubChem CID: 1519489 IUPAC Name: 3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine SMILES: NC1=NC=NC2=NNC(I)=C12
| PubChem CID | 1519489 |
|---|---|
| CAS | 151266-23-8 |
| Molecular Weight (g/mol) | 261.03 |
| MDL Number | MFCD03787931 |
| SMILES | NC1=NC=NC2=NNC(I)=C12 |
| IUPAC Name | 3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| InChI Key | HQAIUXZORKJOJY-UHFFFAOYSA-N |
| Molecular Formula | C5H4IN5 |
5-Chlorobenzofuran-2-carboxylic Acid 98.0+%, TCI America™
CAS: 10242-10-1 Molecular Formula: C9H4ClO3 Molecular Weight (g/mol): 195.58 MDL Number: MFCD00060512 InChI Key: JETRXAHRPACNMA-UHFFFAOYSA-M Synonym: 5-chlorobenzofuran-2-carboxylic acid,5-chlorobenzo b furan-2-carboxylic acid,5-chloro-benzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 5-chloro,2-benzofurancarboxylicacid, 5-chloro,2-carboxy-5-chlorobenzo b furan,5-chloro-2-benzofurancarboxylic acid,5-chlorocoumarilic acid,acmc-20am44,5-chlo-robenzofuran-2-carboxylic acid PubChem CID: 937838 IUPAC Name: 5-chloro-1-benzofuran-2-carboxylate SMILES: [O-]C(=O)C1=CC2=CC(Cl)=CC=C2O1
| PubChem CID | 937838 |
|---|---|
| CAS | 10242-10-1 |
| Molecular Weight (g/mol) | 195.58 |
| MDL Number | MFCD00060512 |
| SMILES | [O-]C(=O)C1=CC2=CC(Cl)=CC=C2O1 |
| Synonym | 5-chlorobenzofuran-2-carboxylic acid,5-chlorobenzo b furan-2-carboxylic acid,5-chloro-benzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 5-chloro,2-benzofurancarboxylicacid, 5-chloro,2-carboxy-5-chlorobenzo b furan,5-chloro-2-benzofurancarboxylic acid,5-chlorocoumarilic acid,acmc-20am44,5-chlo-robenzofuran-2-carboxylic acid |
| IUPAC Name | 5-chloro-1-benzofuran-2-carboxylate |
| InChI Key | JETRXAHRPACNMA-UHFFFAOYSA-M |
| Molecular Formula | C9H4ClO3 |
Ethyl 3-Aminobenzofuran-2-carboxylate 98.0+%, TCI America™
CAS: 39786-35-1 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.213 MDL Number: MFCD00641330 InChI Key: PWOARNMOPCOJEV-UHFFFAOYSA-N Synonym: ethyl 3-aminobenzofuran-2-carboxylate,3-aminocoumarilic acid ethyl ester,2-benzofurancarboxylic acid, 3-amino-, ethyl ester,ethyl 3-aminobenzo b furan-2-carboxylate,ethyl 3-azanyl-1-benzofuran-2-carboxylate,3-amino-2-benzofurancarboxylic acid ethyl ester,3-aminobenzofuran-2-carboxylic acid ethyl ester,enamine_001390,ethyl 3-aminocoumarilate,ethyl3-aminobenzofuran-2-carboxylate PubChem CID: 2063537 IUPAC Name: ethyl 3-amino-1-benzofuran-2-carboxylate SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)N
| PubChem CID | 2063537 |
|---|---|
| CAS | 39786-35-1 |
| Molecular Weight (g/mol) | 205.213 |
| MDL Number | MFCD00641330 |
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)N |
| Synonym | ethyl 3-aminobenzofuran-2-carboxylate,3-aminocoumarilic acid ethyl ester,2-benzofurancarboxylic acid, 3-amino-, ethyl ester,ethyl 3-aminobenzo b furan-2-carboxylate,ethyl 3-azanyl-1-benzofuran-2-carboxylate,3-amino-2-benzofurancarboxylic acid ethyl ester,3-aminobenzofuran-2-carboxylic acid ethyl ester,enamine_001390,ethyl 3-aminocoumarilate,ethyl3-aminobenzofuran-2-carboxylate |
| IUPAC Name | ethyl 3-amino-1-benzofuran-2-carboxylate |
| InChI Key | PWOARNMOPCOJEV-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
Methyl 4,5-Dibromo-2-furancarboxylate 95.0+%, TCI America™
CAS: 54113-41-6 Molecular Formula: C6H4Br2O3 Molecular Weight (g/mol): 283.903 MDL Number: MFCD00092493 InChI Key: OIOPUTCGINQNRL-UHFFFAOYSA-N Synonym: 4,5-Dibromo-2-furancarboxylic Acid Methyl Ester, Methyl 4,5-Dibromo-2-furoate, 4,5-Dibromo-2-furoic Acid Methyl Ester PubChem CID: 4135083 IUPAC Name: methyl 4,5-dibromofuran-2-carboxylate SMILES: COC(=O)C1=CC(=C(O1)Br)Br
| PubChem CID | 4135083 |
|---|---|
| CAS | 54113-41-6 |
| Molecular Weight (g/mol) | 283.903 |
| MDL Number | MFCD00092493 |
| SMILES | COC(=O)C1=CC(=C(O1)Br)Br |
| Synonym | 4,5-Dibromo-2-furancarboxylic Acid Methyl Ester, Methyl 4,5-Dibromo-2-furoate, 4,5-Dibromo-2-furoic Acid Methyl Ester |
| IUPAC Name | methyl 4,5-dibromofuran-2-carboxylate |
| InChI Key | OIOPUTCGINQNRL-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2O3 |