Organoheterocyclic compounds
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1-(Trifluoroacetyl)piperidine 98.0+%, TCI America™
CAS: 340-07-8 Molecular Formula: C7H10F3NO Molecular Weight (g/mol): 181.158 MDL Number: MFCD00466213 InChI Key: BCJUMGSHTLYECD-UHFFFAOYSA-N PubChem CID: 5181830 IUPAC Name: 2,2,2-trifluoro-1-piperidin-1-ylethanone SMILES: C1CCN(CC1)C(=O)C(F)(F)F
| PubChem CID | 5181830 |
|---|---|
| CAS | 340-07-8 |
| Molecular Weight (g/mol) | 181.158 |
| MDL Number | MFCD00466213 |
| SMILES | C1CCN(CC1)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-piperidin-1-ylethanone |
| InChI Key | BCJUMGSHTLYECD-UHFFFAOYSA-N |
| Molecular Formula | C7H10F3NO |
Ethyl (R)-1-(tert-Butoxycarbonyl)-3-piperidinecarboxylate 98.0+%, TCI America™
CAS: 194726-40-4 Molecular Formula: C13H23NO4 Molecular Weight (g/mol): 257.33 MDL Number: MFCD07374389 InChI Key: YCXCRFGBFZTUSU-SNVBAGLBSA-N Synonym: r-1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate,ethyl r-1-boc-nipecotate,r-1-boc-piperidine-3-carboxylic acid ethyl ester,ethyl r-n-boc-piperidine-3-carboxylate,ethyl 1-boc-d-nipecotate,r-ethyl n-boc-piperidine-3-carboxylate,r---n-boc-nipecotic acid ethyl ester,ethyl 3r-1-tert-butoxycarbonyl-3-piperidinecarboxylate,ethyl r-1-boc-3-piperidinecarboxylate,r-1-boc-3-piperidinecarboxylate ethyl ester PubChem CID: 1514446 IUPAC Name: 1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate SMILES: CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
| PubChem CID | 1514446 |
|---|---|
| CAS | 194726-40-4 |
| Molecular Weight (g/mol) | 257.33 |
| MDL Number | MFCD07374389 |
| SMILES | CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C |
| Synonym | r-1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate,ethyl r-1-boc-nipecotate,r-1-boc-piperidine-3-carboxylic acid ethyl ester,ethyl r-n-boc-piperidine-3-carboxylate,ethyl 1-boc-d-nipecotate,r-ethyl n-boc-piperidine-3-carboxylate,r---n-boc-nipecotic acid ethyl ester,ethyl 3r-1-tert-butoxycarbonyl-3-piperidinecarboxylate,ethyl r-1-boc-3-piperidinecarboxylate,r-1-boc-3-piperidinecarboxylate ethyl ester |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate |
| InChI Key | YCXCRFGBFZTUSU-SNVBAGLBSA-N |
| Molecular Formula | C13H23NO4 |
(R)-(-)-3-Aminopiperidine Dihydrochloride 97.0+%, TCI America™
CAS: 334618-23-4 Molecular Formula: C5H14Cl2N2 Molecular Weight (g/mol): 173.081 MDL Number: MFCD06799458 InChI Key: GGPNYXIOFZLNKW-ZJIMSODOSA-N Synonym: r-3-aminopiperidine dihydrochloride,r-piperidin-3-amine dihydrochloride,r---3-aminopiperidine dihydrochloride,r-3-piperidinamine dihydrochloride,3r-piperidin-3-amine dihydrochloride,r-3-amino-piperidine dihydrochloride,r---3-aminopiperidine 2hcl,r-3-aminopiperidine 2hcl,r-3-amino piperidine dihcl PubChem CID: 16211333 IUPAC Name: (3R)-piperidin-3-amine;dihydrochloride SMILES: C1CC(CNC1)N.Cl.Cl
| PubChem CID | 16211333 |
|---|---|
| CAS | 334618-23-4 |
| Molecular Weight (g/mol) | 173.081 |
| MDL Number | MFCD06799458 |
| SMILES | C1CC(CNC1)N.Cl.Cl |
| Synonym | r-3-aminopiperidine dihydrochloride,r-piperidin-3-amine dihydrochloride,r---3-aminopiperidine dihydrochloride,r-3-piperidinamine dihydrochloride,3r-piperidin-3-amine dihydrochloride,r-3-amino-piperidine dihydrochloride,r---3-aminopiperidine 2hcl,r-3-aminopiperidine 2hcl,r-3-amino piperidine dihcl |
| IUPAC Name | (3R)-piperidin-3-amine;dihydrochloride |
| InChI Key | GGPNYXIOFZLNKW-ZJIMSODOSA-N |
| Molecular Formula | C5H14Cl2N2 |
4-Acetamido-1-benzylpiperidine 98.0+%, TCI America™
CAS: 50534-23-1 Molecular Formula: C14H20N2O Molecular Weight (g/mol): 232.33 MDL Number: MFCD00247343 InChI Key: PXKZVCOKJFOTQY-UHFFFAOYSA-N PubChem CID: 12641850 IUPAC Name: N-(1-benzylpiperidin-4-yl)acetamide SMILES: CC(=O)NC1CCN(CC2=CC=CC=C2)CC1
| PubChem CID | 12641850 |
|---|---|
| CAS | 50534-23-1 |
| Molecular Weight (g/mol) | 232.33 |
| MDL Number | MFCD00247343 |
| SMILES | CC(=O)NC1CCN(CC2=CC=CC=C2)CC1 |
| IUPAC Name | N-(1-benzylpiperidin-4-yl)acetamide |
| InChI Key | PXKZVCOKJFOTQY-UHFFFAOYSA-N |
| Molecular Formula | C14H20N2O |
Ethyl 3-Piperidinecarboxylate 98.0+%, TCI America™
CAS: 5006-62-2 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00005991 InChI Key: XIWBSOUNZWSFKU-UHFFFAOYSA-N Synonym: ethyl nipecotate,ethyl 3-piperidinecarboxylate,nipecotic acid ethyl ester,3-piperidinecarboxylic acid ethyl ester,ethylpiperidine-3-carboxylate,3-ethoxycarbonyl piperidine,3-piperidinecarboxylic acid, ethyl ester,piperidine-3-carboxylic acid ethyl ester,ethylnipecotate,a-ethyl nipecotate PubChem CID: 98969 IUPAC Name: ethyl piperidine-3-carboxylate SMILES: CCOC(=O)C1CCCNC1
| PubChem CID | 98969 |
|---|---|
| CAS | 5006-62-2 |
| Molecular Weight (g/mol) | 157.213 |
| MDL Number | MFCD00005991 |
| SMILES | CCOC(=O)C1CCCNC1 |
| Synonym | ethyl nipecotate,ethyl 3-piperidinecarboxylate,nipecotic acid ethyl ester,3-piperidinecarboxylic acid ethyl ester,ethylpiperidine-3-carboxylate,3-ethoxycarbonyl piperidine,3-piperidinecarboxylic acid, ethyl ester,piperidine-3-carboxylic acid ethyl ester,ethylnipecotate,a-ethyl nipecotate |
| IUPAC Name | ethyl piperidine-3-carboxylate |
| InChI Key | XIWBSOUNZWSFKU-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
Paroxetine Hydrochloride Hemihydrate 98.0+%, TCI America™
CAS: 110429-35-1 Molecular Formula: C38H42F2N2O7 Molecular Weight (g/mol): 676.758 MDL Number: MFCD03658863 InChI Key: ZXJDTEDKPXHKJZ-HBQYTBQASA-N Synonym: (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride PubChem CID: 56829429 IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O
| PubChem CID | 56829429 |
|---|---|
| CAS | 110429-35-1 |
| Molecular Weight (g/mol) | 676.758 |
| MDL Number | MFCD03658863 |
| SMILES | C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O |
| Synonym | (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride |
| IUPAC Name | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate |
| InChI Key | ZXJDTEDKPXHKJZ-HBQYTBQASA-N |
| Molecular Formula | C38H42F2N2O7 |
Methyl 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylate 98.0+%, TCI America™
CAS: 148763-41-1 Molecular Formula: C12H21NO4 Molecular Weight (g/mol): 243.303 MDL Number: MFCD06795926 InChI Key: LYYJQMCPEHXOEW-UHFFFAOYSA-N Synonym: Methyl 1-Boc-3-piperidinecarboxylate, 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic Acid Methyl Ester, 1-Boc-3-piperidinecarboxylic Acid Methyl Ester, 1-tert-Butyl 3-Methyl Piperidine-1,3-dicarboxylate, Piperidine-1,3-dicarboxylic Acid 1-tert-Butyl 3-Met PubChem CID: 23590652 IUPAC Name: 1-O-tert-butyl 3-O-methyl piperidine-1,3-dicarboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OC
| PubChem CID | 23590652 |
|---|---|
| CAS | 148763-41-1 |
| Molecular Weight (g/mol) | 243.303 |
| MDL Number | MFCD06795926 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OC |
| Synonym | Methyl 1-Boc-3-piperidinecarboxylate, 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic Acid Methyl Ester, 1-Boc-3-piperidinecarboxylic Acid Methyl Ester, 1-tert-Butyl 3-Methyl Piperidine-1,3-dicarboxylate, Piperidine-1,3-dicarboxylic Acid 1-tert-Butyl 3-Met |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl piperidine-1,3-dicarboxylate |
| InChI Key | LYYJQMCPEHXOEW-UHFFFAOYSA-N |
| Molecular Formula | C12H21NO4 |
Methyl 4-Piperidinecarboxylate 98.0+%, TCI America™
CAS: 2971-79-1 Molecular Formula: C7H13NO2 Molecular Weight (g/mol): 143.19 MDL Number: MFCD00190578 InChI Key: RZVWBASHHLFBJF-UHFFFAOYSA-N Synonym: methyl isonipecotate,methyl 4-piperidinecarboxylate,4-piperidinecarboxylic acid, methyl ester,piperidine-4-carboxylic acid methyl ester,4-piperidinecarboxylic acid methyl ester,isonipecotic acid methyl ester,methylpiperidine-4-carboxylate,methylisonipecotate,methyl piperidin-4-carboxylate,acmc-20aiv4 PubChem CID: 424914 IUPAC Name: methyl piperidine-4-carboxylate SMILES: COC(=O)C1CCNCC1
| PubChem CID | 424914 |
|---|---|
| CAS | 2971-79-1 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00190578 |
| SMILES | COC(=O)C1CCNCC1 |
| Synonym | methyl isonipecotate,methyl 4-piperidinecarboxylate,4-piperidinecarboxylic acid, methyl ester,piperidine-4-carboxylic acid methyl ester,4-piperidinecarboxylic acid methyl ester,isonipecotic acid methyl ester,methylpiperidine-4-carboxylate,methylisonipecotate,methyl piperidin-4-carboxylate,acmc-20aiv4 |
| IUPAC Name | methyl piperidine-4-carboxylate |
| InChI Key | RZVWBASHHLFBJF-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO2 |
3-Amino-1-benzylpiperidine 98.0+%, TCI America™
CAS: 60407-35-4 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD04038444 InChI Key: HARWNWOLWMTQCC-UHFFFAOYSA-N PubChem CID: 421694 IUPAC Name: 1-benzylpiperidin-3-amine SMILES: C1CC(CN(C1)CC2=CC=CC=C2)N
| PubChem CID | 421694 |
|---|---|
| CAS | 60407-35-4 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD04038444 |
| SMILES | C1CC(CN(C1)CC2=CC=CC=C2)N |
| IUPAC Name | 1-benzylpiperidin-3-amine |
| InChI Key | HARWNWOLWMTQCC-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2 |
Isonipecotamide 98.0+%, TCI America™
CAS: 39546-32-2 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00038012 InChI Key: DPBWFNDFMCCGGJ-UHFFFAOYSA-N Synonym: isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide PubChem CID: 3772 IUPAC Name: piperidine-4-carboxamide SMILES: NC(=O)C1CCNCC1
| PubChem CID | 3772 |
|---|---|
| CAS | 39546-32-2 |
| Molecular Weight (g/mol) | 128.18 |
| MDL Number | MFCD00038012 |
| SMILES | NC(=O)C1CCNCC1 |
| Synonym | isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide |
| IUPAC Name | piperidine-4-carboxamide |
| InChI Key | DPBWFNDFMCCGGJ-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
1-(tert-Butoxycarbonyl)-4-piperidinemethanol 98.0+%, TCI America™
CAS: 123855-51-6 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD02094488 InChI Key: CTEDVGRUGMPBHE-UHFFFAOYSA-N Synonym: n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol PubChem CID: 2764081 IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CO)CC1
| PubChem CID | 2764081 |
|---|---|
| CAS | 123855-51-6 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD02094488 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CO)CC1 |
| Synonym | n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | CTEDVGRUGMPBHE-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
3,4-Di-O-acetyl-6-deoxy-L-glucal 95.0+%, TCI America™
CAS: 34819-86-8 Molecular Formula: C10H14O5 Molecular Weight (g/mol): 214.217 MDL Number: MFCD00074970 InChI Key: NDEGMKQAZZBNBB-JUWDTYFHSA-N Synonym: 3,4-di-o-acetyl-6-deoxy-l-glucal,3,4-di-o-acetyl-l-rhamnal,2s,3s,4s-2-methyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,3,4-di-o-acetyl-1,5-anhydro-2,6-dideoxy-l-arabino-hex-1-enitol,di-o-acetyl-l-rhamnal,2s,3s,4s-4-acetyloxy-2-methyl-3,4-dihydro-2h-pyran-3-yl acetate,diacetyl-l-rhamnal,l-rhamnal diacetate,6-deoxy-l-glucal diacetate,l-arabino-hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate PubChem CID: 2734733 IUPAC Name: [(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate SMILES: CC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 2734733 |
|---|---|
| CAS | 34819-86-8 |
| Molecular Weight (g/mol) | 214.217 |
| MDL Number | MFCD00074970 |
| SMILES | CC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | 3,4-di-o-acetyl-6-deoxy-l-glucal,3,4-di-o-acetyl-l-rhamnal,2s,3s,4s-2-methyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,3,4-di-o-acetyl-1,5-anhydro-2,6-dideoxy-l-arabino-hex-1-enitol,di-o-acetyl-l-rhamnal,2s,3s,4s-4-acetyloxy-2-methyl-3,4-dihydro-2h-pyran-3-yl acetate,diacetyl-l-rhamnal,l-rhamnal diacetate,6-deoxy-l-glucal diacetate,l-arabino-hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate |
| IUPAC Name | [(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate |
| InChI Key | NDEGMKQAZZBNBB-JUWDTYFHSA-N |
| Molecular Formula | C10H14O5 |
6-Methylflavone 98.0+%, TCI America™
CAS: 29976-75-8 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00017461 InChI Key: NOQJBXPAMJLUSS-UHFFFAOYSA-N PubChem CID: 689013 IUPAC Name: 6-methyl-2-phenylchromen-4-one SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
| PubChem CID | 689013 |
|---|---|
| CAS | 29976-75-8 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00017461 |
| SMILES | CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3 |
| IUPAC Name | 6-methyl-2-phenylchromen-4-one |
| InChI Key | NOQJBXPAMJLUSS-UHFFFAOYSA-N |
| Molecular Formula | C16H12O2 |
2-Coumaranone 98.0+%, TCI America™
CAS: 553-86-6 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005856 InChI Key: ACZGCWSMSTYWDQ-UHFFFAOYSA-N Synonym: 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie PubChem CID: 68382 IUPAC Name: 3H-1-benzofuran-2-one SMILES: C1C2=CC=CC=C2OC1=O
| PubChem CID | 68382 |
|---|---|
| CAS | 553-86-6 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00005856 |
| SMILES | C1C2=CC=CC=C2OC1=O |
| Synonym | 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie |
| IUPAC Name | 3H-1-benzofuran-2-one |
| InChI Key | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |